 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer05_STD_wB97XD_augccpVDZ.in
 Output=10_L-serine_conformer05_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-177039.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    177048.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer05_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:03:36 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer05_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.143775000000     -0.674095000000     -0.437636000000
  C                                                -0.192819000000      0.114958000000      0.470853000000
  C                                                 1.243923000000     -0.263455000000      0.087563000000
  O                                                 1.874804000000      0.673356000000     -0.628783000000
  O                                                -2.504247000000     -0.351006000000     -0.184987000000
  N                                                -0.416115000000      1.547904000000      0.283938000000
  O                                                 1.734731000000     -1.321804000000      0.371413000000
  H                                                -0.341797000000     -0.217774000000      1.503620000000
  H                                                -0.962424000000     -0.398578000000     -1.477959000000
  H                                                -0.944875000000     -1.741017000000     -0.322569000000
  H                                                 1.241903000000      1.425342000000     -0.687718000000
  H                                                -1.387261000000      1.719755000000      0.048304000000
  H                                                -0.202584000000      2.074274000000      1.121954000000
  H                                                -2.776443000000     -0.766154000000      0.640980000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:03:36 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.143775   -0.674095   -0.437636
      2          6           0       -0.192819    0.114958    0.470853
      3          6           0        1.243923   -0.263455    0.087563
      4          8           0        1.874804    0.673356   -0.628783
      5          8           0       -2.504247   -0.351006   -0.184987
      6          7           0       -0.416115    1.547904    0.283938
      7          8           0        1.734731   -1.321804    0.371413
      8          1           0       -0.341797   -0.217774    1.503620
      9          1           0       -0.962424   -0.398578   -1.477959
     10          1           0       -0.944875   -1.741017   -0.322569
     11          1           0        1.241903    1.425342   -0.687718
     12          1           0       -1.387261    1.719755    0.048304
     13          1           0       -0.202584    2.074274    1.121954
     14          1           0       -2.776443   -0.766154    0.640980
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533713   0.000000
     3  C    2.479024   1.534384   0.000000
     4  O    3.311190   2.407503   1.337452   0.000000
     5  O    1.420951   2.447437   3.759086   4.519111   0.000000
     6  N    2.446924   1.462235   2.464815   2.616525   2.861127
     7  O    3.059393   2.406163   1.200652   2.236219   4.384172
     8  H    2.149389   1.095223   2.126455   3.202277   2.746877
     9  H    1.091361   2.157285   2.708705   3.149604   2.012774
    10  H    1.091386   2.154008   2.672496   3.724722   2.093490
    11  H    3.187732   2.262260   1.858252   0.984642   4.176337
    12  H    2.454779   2.044655   3.295116   3.492058   2.364346
    13  H    3.297225   2.064691   2.937231   3.056664   3.589949
    14  H    1.958952   2.735035   4.089293   5.031758   0.963670
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.587341   0.000000
     8  H    2.147269   2.610123   0.000000
     9  H    2.681702   3.398112   3.050849   0.000000
    10  H    3.385918   2.799578   2.453353   1.771264   0.000000
    11  H    1.925658   2.985205   3.163842   2.968202   3.865380
    12  H    1.013992   4.370619   2.639121   2.645241   3.508589
    13  H    1.012389   3.981187   2.327774   3.667683   4.146575
    14  H    3.324679   4.553252   2.640524   2.813482   2.287668
                   11         12         13         14
    11  H    0.000000
    12  H    2.746072   0.000000
    13  H    2.404697   1.637641   0.000000
    14  H    4.766046   2.908751   3.863175   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.91D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.143775   -0.674095   -0.437636
      2          6           0       -0.192819    0.114958    0.470853
      3          6           0        1.243923   -0.263455    0.087563
      4          8           0        1.874804    0.673356   -0.628783
      5          8           0       -2.504247   -0.351006   -0.184987
      6          7           0       -0.416115    1.547904    0.283938
      7          8           0        1.734731   -1.321804    0.371413
      8          1           0       -0.341797   -0.217774    1.503620
      9          1           0       -0.962424   -0.398578   -1.477959
     10          1           0       -0.944875   -1.741017   -0.322569
     11          1           0        1.241903    1.425342   -0.687718
     12          1           0       -1.387261    1.719755    0.048304
     13          1           0       -0.202584    2.074274    1.121954
     14          1           0       -2.776443   -0.766154    0.640980
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.5014835           1.8258175           1.4640838
 Leave Link  202 at Thu Aug 12 22:03:36 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       323.3201492639 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0067193548 Hartrees.
 Nuclear repulsion after empirical dispersion term =      323.3134299091 Hartrees.
 Leave Link  301 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:              10.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  1.79D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer05_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:03:39 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368591572 LenY=  5368534487
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.902392269342    
 DIIS: error= 1.89D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.902392269342     IErMin= 1 ErrMin= 1.89D-03
 ErrMax= 1.89D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.32D-03 BMatP= 6.32D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.89D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.427 Goal=   None    Shift=    0.000
 GapD=    0.427 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=7.17D-03 MaxDP=2.62D-01              OVMax= 1.41D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.10D-03    CP:  9.63D-01
 E= -398.907827646988     Delta-E=       -0.005435377646 Rises=F Damp=F
 DIIS: error= 4.01D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.907827646988     IErMin= 2 ErrMin= 4.01D-04
 ErrMax= 4.01D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-04 BMatP= 6.32D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.01D-03
 Coeff-Com: -0.427D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.426D-01 0.104D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.08D-03 MaxDP=4.81D-02 DE=-5.44D-03 OVMax= 4.86D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.25D-04    CP:  9.56D-01  1.13D+00
 E= -398.907973707030     Delta-E=       -0.000146060042 Rises=F Damp=F
 DIIS: error= 3.80D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -398.907973707030     IErMin= 3 ErrMin= 3.80D-04
 ErrMax= 3.80D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-04 BMatP= 1.54D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.80D-03
 Coeff-Com: -0.462D-01 0.529D+00 0.517D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.461D-01 0.527D+00 0.519D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.36D-04 MaxDP=6.71D-03 DE=-1.46D-04 OVMax= 1.73D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.30D-05    CP:  9.55D-01  1.14D+00  1.12D+00
 E= -398.908071239455     Delta-E=       -0.000097532425 Rises=F Damp=F
 DIIS: error= 5.65D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.908071239455     IErMin= 4 ErrMin= 5.65D-05
 ErrMax= 5.65D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-06 BMatP= 1.41D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.294D-02-0.246D-01 0.852D-01 0.942D+00
 Coeff:     -0.294D-02-0.246D-01 0.852D-01 0.942D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=9.96D-05 MaxDP=5.30D-03 DE=-9.75D-05 OVMax= 7.68D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.92D-05    CP:  9.53D-01  1.15D+00  1.26D+00  1.22D+00
 E= -398.908075634560     Delta-E=       -0.000004395105 Rises=F Damp=F
 DIIS: error= 3.28D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.908075634560     IErMin= 5 ErrMin= 3.28D-05
 ErrMax= 3.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.03D-07 BMatP= 3.26D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.326D-02-0.620D-01-0.150D-01 0.422D+00 0.651D+00
 Coeff:      0.326D-02-0.620D-01-0.150D-01 0.422D+00 0.651D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=2.27D-05 MaxDP=1.17D-03 DE=-4.40D-06 OVMax= 3.20D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.04D-05    CP:  9.53D-01  1.15D+00  1.29D+00  1.32D+00  1.10D+00
 E= -398.908076495074     Delta-E=       -0.000000860514 Rises=F Damp=F
 DIIS: error= 1.21D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.908076495074     IErMin= 6 ErrMin= 1.21D-05
 ErrMax= 1.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-07 BMatP= 9.03D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.183D-02-0.272D-01-0.140D-01 0.115D+00 0.308D+00 0.617D+00
 Coeff:      0.183D-02-0.272D-01-0.140D-01 0.115D+00 0.308D+00 0.617D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=4.55D-06 MaxDP=1.70D-04 DE=-8.61D-07 OVMax= 9.92D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.59D-06    CP:  9.53D-01  1.15D+00  1.29D+00  1.34D+00  1.16D+00
                    CP:  1.09D+00
 E= -398.908076586839     Delta-E=       -0.000000091765 Rises=F Damp=F
 DIIS: error= 3.40D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.908076586839     IErMin= 7 ErrMin= 3.40D-06
 ErrMax= 3.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-08 BMatP= 1.10D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.172D-04 0.214D-02-0.124D-02-0.418D-01-0.155D-01 0.232D+00
 Coeff-Com:  0.824D+00
 Coeff:      0.172D-04 0.214D-02-0.124D-02-0.418D-01-0.155D-01 0.232D+00
 Coeff:      0.824D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=2.33D-06 MaxDP=5.42D-05 DE=-9.18D-08 OVMax= 4.36D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.21D-06    CP:  9.53D-01  1.15D+00  1.29D+00  1.35D+00  1.19D+00
                    CP:  1.16D+00  1.10D+00
 E= -398.908076600866     Delta-E=       -0.000000014028 Rises=F Damp=F
 DIIS: error= 6.90D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.908076600866     IErMin= 8 ErrMin= 6.90D-07
 ErrMax= 6.90D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.92D-10 BMatP= 1.11D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D-03 0.226D-02 0.801D-03-0.167D-01-0.237D-01 0.627D-03
 Coeff-Com:  0.166D+00 0.871D+00
 Coeff:     -0.113D-03 0.226D-02 0.801D-03-0.167D-01-0.237D-01 0.627D-03
 Coeff:      0.166D+00 0.871D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=6.25D-07 MaxDP=2.42D-05 DE=-1.40D-08 OVMax= 9.89D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.67D-07    CP:  9.53D-01  1.15D+00  1.29D+00  1.35D+00  1.19D+00
                    CP:  1.18D+00  1.17D+00  1.22D+00
 E= -398.908076601527     Delta-E=       -0.000000000661 Rises=F Damp=F
 DIIS: error= 1.88D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.908076601527     IErMin= 9 ErrMin= 1.88D-07
 ErrMax= 1.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.89D-11 BMatP= 3.92D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.289D-04 0.443D-03 0.269D-03-0.180D-02-0.493D-02-0.162D-01
 Coeff-Com: -0.519D-02 0.232D+00 0.795D+00
 Coeff:     -0.289D-04 0.443D-03 0.269D-03-0.180D-02-0.493D-02-0.162D-01
 Coeff:     -0.519D-02 0.232D+00 0.795D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.70D-07 MaxDP=6.68D-06 DE=-6.61D-10 OVMax= 3.51D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.17D-08    CP:  9.53D-01  1.15D+00  1.29D+00  1.34D+00  1.19D+00
                    CP:  1.17D+00  1.18D+00  1.28D+00  1.05D+00
 E= -398.908076601585     Delta-E=       -0.000000000058 Rises=F Damp=F
 DIIS: error= 6.92D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.908076601585     IErMin=10 ErrMin= 6.92D-08
 ErrMax= 6.92D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.30D-12 BMatP= 3.89D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.462D-05-0.155D-03-0.177D-04 0.180D-02 0.177D-02-0.643D-02
 Coeff-Com: -0.244D-01-0.479D-01 0.250D+00 0.826D+00
 Coeff:      0.462D-05-0.155D-03-0.177D-04 0.180D-02 0.177D-02-0.643D-02
 Coeff:     -0.244D-01-0.479D-01 0.250D+00 0.826D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=6.98D-08 MaxDP=2.73D-06 DE=-5.82D-11 OVMax= 1.58D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.87D-08    CP:  9.53D-01  1.15D+00  1.29D+00  1.34D+00  1.19D+00
                    CP:  1.17D+00  1.19D+00  1.29D+00  1.14D+00  1.23D+00
 E= -398.908076601601     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 2.13D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.908076601601     IErMin=11 ErrMin= 2.13D-08
 ErrMax= 2.13D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.43D-13 BMatP= 6.30D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.379D-05-0.823D-04-0.326D-04 0.661D-03 0.973D-03-0.632D-03
 Coeff-Com: -0.617D-02-0.318D-01 0.118D-01 0.239D+00 0.786D+00
 Coeff:      0.379D-05-0.823D-04-0.326D-04 0.661D-03 0.973D-03-0.632D-03
 Coeff:     -0.617D-02-0.318D-01 0.118D-01 0.239D+00 0.786D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.34D-08 MaxDP=3.79D-07 DE=-1.53D-11 OVMax= 6.07D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.72D-09    CP:  9.53D-01  1.15D+00  1.29D+00  1.34D+00  1.19D+00
                    CP:  1.17D+00  1.19D+00  1.29D+00  1.16D+00  1.29D+00
                    CP:  1.15D+00
 E= -398.908076601621     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 9.87D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -398.908076601621     IErMin=12 ErrMin= 9.87D-09
 ErrMax= 9.87D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.16D-14 BMatP= 5.43D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.202D-06 0.440D-05-0.659D-05-0.122D-03-0.173D-04 0.793D-03
 Coeff-Com:  0.227D-02-0.639D-03-0.388D-01-0.737D-01 0.226D+00 0.884D+00
 Coeff:      0.202D-06 0.440D-05-0.659D-05-0.122D-03-0.173D-04 0.793D-03
 Coeff:      0.227D-02-0.639D-03-0.388D-01-0.737D-01 0.226D+00 0.884D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=7.96D-09 MaxDP=5.04D-07 DE=-1.99D-11 OVMax= 3.90D-07

 SCF Done:  E(RwB97XD) =  -398.908076602     A.U. after   12 cycles
            NFock= 12  Conv=0.80D-08     -V/T= 2.0060
 KE= 3.965446530755D+02 PE=-1.581869828674D+03 EE= 4.631036690883D+02
 Leave Link  502 at Thu Aug 12 22:04:23 2021, MaxMem=  5368709120 cpu:             355.0 elap:              44.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.45048666D+02

 Leave Link  801 at Thu Aug 12 22:04:23 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4327 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 2.74D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 1.91D-01 6.10D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 2.81D-02 3.35D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 1.76D-03 6.79D-03.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 7.14D-05 1.49D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 1.89D-06 1.88D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 5.98D-08 3.69D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 1.21D-09 4.59D-06.
     11 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 2.43D-11 7.54D-07.
      8 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 3.52D-13 9.47D-08.
      1 vectors produced by pass 10 Test12= 9.15D-14 8.33D-09 XBig12= 5.02D-15 8.35D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.656368D+02
      2 -0.186029D+01  0.627173D+02
      3 -0.217848D+01 -0.270595D+01  0.514164D+02
 Isotropic polarizability for W=    0.088559       59.92 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.306373D+02 -0.137257D+02 -0.821485D+01
      2   0.194100D+02  0.107808D+02  0.356542D+01
      3   0.112273D+02  0.294495D+01  0.464944D+01
      4  -0.106080D+02  0.736156D+01 -0.153068D+02
      5  -0.397920D+00 -0.162081D+02 -0.170213D+02
      6  -0.699060D+01  0.101857D+02  0.583426D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.270521D+01  0.855735D+00 -0.113553D+01
      2  -0.219275D+01 -0.572246D+01 -0.104187D+02
      3   0.670528D+01 -0.227846D+01  0.367751D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.901290D+00  0.662026D+01 -0.288931D+01
      2  -0.781693D+01 -0.831616D+01 -0.282486D+02
      3   0.311774D+01  0.120485D+02  0.921745D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.124780D+01  0.184671D+00 -0.136388D+01
      2   0.184671D+00  0.111232D+01  0.114927D+01
      3  -0.136388D+01  0.114927D+01  0.795735D+00
 OR G Eigenvalues:    -2.0867     0.4434     2.3036  Iso=    -0.2201
 Eigenvectors:
   (1)   0.843339  -0.224143   0.488405
   (2)   0.480170   0.722379  -0.497599
   (3)  -0.241280   0.654162   0.716838
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2201 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =     -106.19 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 8.35D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.12D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 3.70D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 2.81D-02 4.88D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 9.36D-04 6.41D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 9.75D-06 4.61D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 1.12D-07 3.73D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 1.15D-09 3.79D-06.
     30 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 8.30D-12 2.83D-07.
     28 vectors produced by pass  7 Test12= 1.52D-14 2.78D-09 XBig12= 4.97D-14 2.36D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   238 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.27D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.27D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.08D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.656368D+02 -0.186029D+01 -0.217848D+01
      2  -0.186029D+01  0.627173D+02 -0.270595D+01
      3  -0.217848D+01 -0.270595D+01  0.514164D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.270521D+01  0.855735D+00 -0.113553D+01
      2  -0.219275D+01 -0.572246D+01 -0.104187D+02
      3   0.670528D+01 -0.227846D+01  0.367751D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.306373D+02 -0.137257D+02 -0.821485D+01
      2   0.194100D+02  0.107808D+02  0.356542D+01
      3   0.112273D+02  0.294495D+01  0.464944D+01
      4  -0.106080D+02  0.736156D+01 -0.153068D+02
      5  -0.397920D+00 -0.162081D+02 -0.170213D+02
      6  -0.699060D+01  0.101857D+02  0.583426D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.134690D+01 -0.123503D+01 -0.891637D+00 -0.359943D+01 -0.199568D+01
      2  -0.123503D+01 -0.267209D+01 -0.578329D+00 -0.199568D+01  0.500096D+01
      3  -0.891637D+00 -0.578329D+00 -0.240807D+01 -0.664888D+00 -0.264303D+00
                 6             7             8             9            10 
      1  -0.664888D+00 -0.316588D+01 -0.496700D+00 -0.183691D+01  0.597465D+00
      2  -0.264303D+00 -0.496700D+00 -0.122287D+01 -0.143990D+01  0.175644D+01
      3  -0.198560D+01 -0.183691D+01 -0.143990D+01  0.569350D+01  0.194352D+01
                11            12            13            14            15 
      1   0.175644D+01  0.194352D+01  0.281414D+01  0.141585D+01  0.422972D+00
      2   0.174837D+01  0.184864D+00  0.141585D+01 -0.262875D+01 -0.637262D+00
      3   0.184864D+00  0.125770D+01  0.422972D+00 -0.637262D+00  0.242900D+01
                16            17            18            19            20 
      1   0.296029D+01 -0.151526D+00  0.172181D+01  0.107614D+01 -0.348346D-01
      2  -0.151526D+00 -0.175845D+00  0.341034D+01 -0.348346D-01 -0.198539D+01
      3   0.172181D+01  0.341034D+01 -0.569119D+01 -0.123879D+01  0.129825D+01
                21            22            23            24            25 
      1  -0.123879D+01  0.234068D+01 -0.304222D+01  0.151384D+01  0.243076D+00
      2   0.129825D+01 -0.304222D+01  0.455757D+01 -0.597239D+00  0.190962D+01
      3   0.105839D+00  0.151384D+01 -0.597239D+00  0.110574D+00 -0.274743D+00
                26            27            28            29            30 
      1   0.190962D+01 -0.274743D+00  0.630316D+01  0.930536D+00 -0.212248D+01
      2  -0.650683D+00 -0.504925D+00  0.930536D+00  0.300441D+01 -0.559719D+00
      3  -0.504925D+00  0.608519D+00 -0.212248D+01 -0.559719D+00  0.141642D+01
                31            32            33            34            35 
      1  -0.147729D+01  0.360056D+01  0.381275D+00 -0.188608D+01 -0.955002D+00
      2   0.360056D+01  0.179257D+00 -0.661691D+00 -0.955002D+00 -0.371895D+00
      3   0.381275D+00 -0.661691D+00  0.191667D+00  0.152769D+01  0.131608D+01
                36            37            38            39            40 
      1   0.152769D+01 -0.724909D+01  0.408876D+00 -0.163414D+01  0.244596D+01
      2   0.131608D+01  0.408876D+00 -0.924193D-01 -0.446625D+00 -0.646058D+00
      3  -0.275117D+01 -0.163414D+01 -0.446625D+00  0.112141D+01 -0.726336D+00
                41            42            43            44            45 
      1  -0.646058D+00 -0.726336D+00 -0.294530D+01 -0.750559D+00  0.586745D+00
      2   0.767916D+00 -0.679960D+00 -0.750559D+00 -0.120197D+01  0.136762D+01
      3  -0.679960D+00  0.193581D+01  0.586745D+00  0.136762D+01 -0.395981D+01
                46            47            48            49            50 
      1   0.414512D+01 -0.663636D+00 -0.131152D-01 -0.402015D+00 -0.381097D+00
      2  -0.663636D+00  0.255677D+00  0.317915D-01 -0.381097D+00  0.322231D+01
      3  -0.131152D-01  0.317915D-01 -0.119123D+01 -0.448794D+00 -0.132801D+01
                51            52            53            54            55 
      1  -0.448794D+00  0.197421D-01 -0.388380D+00 -0.116392D+01  0.493388D+01
      2  -0.132801D+01 -0.388380D+00 -0.309695D+01 -0.212401D+01 -0.388299D+01
      3  -0.189594D+01 -0.116392D+01 -0.212401D+01 -0.210272D+01  0.148635D+01
                56            57            58            59            60 
      1  -0.388299D+01  0.148635D+01 -0.544809D+01  0.376201D+01 -0.783367D+00
      2   0.333555D+01 -0.102334D+01  0.376201D+01 -0.106397D+02  0.158229D+01
      3  -0.102334D+01  0.106457D+01 -0.783367D+00  0.158229D+01 -0.235676D+01
                61            62            63            64            65 
      1   0.123758D+01 -0.763923D+00  0.196028D+01 -0.573053D+00 -0.698683D+00
      2  -0.763923D+00  0.119144D+01 -0.279114D+01 -0.698683D+00 -0.603589D+00
      3   0.196028D+01 -0.279114D+01  0.212105D+01  0.105128D+01  0.863915D-01
                66            67            68            69            70 
      1   0.105128D+01 -0.123330D+01 -0.600205D+00  0.194381D+00  0.124147D+01
      2   0.863915D-01 -0.600205D+00 -0.119989D+01  0.162140D+01  0.200591D+00
      3  -0.112401D+01  0.194381D+00  0.162140D+01 -0.200286D+01 -0.880523D+00
                71            72            73            74            75 
      1   0.200591D+00 -0.880523D+00  0.108620D-01  0.353932D+00 -0.875246D+00
      2   0.236073D+01 -0.205171D+01  0.353932D+00  0.319282D+00  0.112511D+00
      3  -0.205171D+01  0.775840D+01 -0.875246D+00  0.112511D+00  0.103895D+01
                76            77            78            79            80 
      1   0.122395D+01  0.368310D+00  0.969346D-01 -0.145838D+01 -0.106320D+00
      2   0.368310D+00  0.162594D+00 -0.945861D+00 -0.106320D+00 -0.123565D+01
      3   0.969346D-01 -0.945861D+00  0.167415D+01  0.161085D+00  0.167717D+00
                81            82            83            84            85 
      1   0.161085D+00  0.635350D+00 -0.963958D+00  0.119458D+00 -0.147059D+01
      2   0.167717D+00 -0.963958D+00  0.993306D+00  0.229474D+00  0.521854D+00
      3  -0.779526D+01  0.119458D+00  0.229474D+00  0.424916D+00  0.484276D-01
                86            87            88            89            90 
      1   0.521854D+00  0.484276D-01  0.853725D+00  0.996155D-01  0.290244D+00
      2  -0.796839D+01 -0.599882D+00  0.996155D-01  0.564084D+00 -0.840418D+00
      3  -0.599882D+00 -0.967850D+00  0.290244D+00 -0.840418D+00 -0.402565D+00
                91            92            93            94            95 
      1  -0.282037D+01  0.175061D+01  0.100361D+01  0.358415D+01 -0.582565D+00
      2   0.175061D+01 -0.123835D+01 -0.483124D-01 -0.582565D+00  0.411818D+01
      3   0.100361D+01 -0.483124D-01 -0.364043D+00 -0.102205D+01 -0.899663D+00
                96            97            98            99           100 
      1  -0.102205D+01  0.139207D+00 -0.155025D+00  0.207790D+00 -0.624558D+01
      2  -0.899663D+00 -0.155025D+00 -0.925713D+00  0.868749D+00  0.218900D+01
      3   0.145905D+01  0.207790D+00  0.868749D+00 -0.139740D+01 -0.677231D+00
               101           102           103           104           105 
      1   0.218900D+01 -0.677231D+00  0.203377D+01 -0.148296D+01 -0.967074D-01
      2  -0.316432D+01 -0.985457D-01 -0.148296D+01  0.142453D+01  0.319171D-01
      3  -0.985457D-01 -0.108099D+01 -0.967074D-01  0.319171D-01  0.496475D+00
               106           107           108           109           110 
      1  -0.161642D+01  0.238877D+00 -0.294711D+00  0.468632D+00  0.708988D+00
      2   0.238877D+00 -0.544412D+00  0.519555D+00  0.708988D+00  0.890833D+00
      3  -0.294711D+00  0.519555D+00 -0.353847D+00  0.471526D+00  0.403197D+00
               111           112           113           114           115 
      1   0.471526D+00  0.745474D+00  0.171603D+00  0.759009D-01  0.829258D+00
      2   0.403197D+00  0.171603D+00  0.406756D+01  0.233720D+01  0.336154D+00
      3   0.137255D+01  0.759009D-01  0.233720D+01  0.276172D+01  0.635426D+00
               116           117           118           119           120 
      1   0.336154D+00  0.635426D+00 -0.262941D+01 -0.619268D+00  0.137691D+01
      2   0.378288D+01  0.344279D+01 -0.619268D+00 -0.791254D+00  0.408394D+00
      3   0.344279D+01  0.388672D+01  0.137691D+01  0.408394D+00 -0.163400D+01
               121           122           123           124           125 
      1  -0.155743D+01 -0.110940D+01  0.100841D+01  0.354771D+01  0.982578D+00
      2  -0.110940D+01 -0.106415D+01  0.104107D+01  0.982578D+00  0.152685D+01
      3   0.100841D+01  0.104107D+01 -0.184942D+01 -0.264026D+01 -0.134073D+01
               126 
      1  -0.264026D+01
      2  -0.134073D+01
      3   0.438577D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.649149D+00  0.107223D+01 -0.105061D+01 -0.980835D+00 -0.566543D+01
      2   0.108962D+01  0.374640D-01  0.150540D+01  0.121678D+01 -0.784594D+00
      3  -0.269901D+01  0.117831D+01  0.599783D+00  0.451569D+01  0.735127D+01
                 6             7             8             9            10 
      1  -0.376349D+01 -0.913194D+00  0.120996D+01  0.573098D+01  0.654345D+00
      2   0.148846D+01 -0.217754D+01  0.374586D+00 -0.683573D+01  0.667810D+01
      3   0.842952D+00  0.125282D+01 -0.297539D+00 -0.147178D+00 -0.780355D+00
                11            12            13            14            15 
      1   0.308736D+00 -0.256597D+00 -0.260660D+01 -0.134321D+01  0.175495D+01
      2   0.479093D+00  0.313751D+01 -0.167624D+01 -0.313075D+00 -0.546699D+00
      3  -0.616241D+01 -0.146669D+01 -0.339128D+00 -0.223380D+01  0.215804D+01
                16            17            18            19            20 
      1   0.536831D+00  0.360218D+01  0.277965D+00  0.176808D+01  0.154003D+01
      2  -0.521268D+01  0.225169D+00  0.140781D+01 -0.955847D+01 -0.804056D+00
      3  -0.687786D+00 -0.938875D-01 -0.595206D-01  0.653554D+01  0.195143D+01
                21            22            23            24            25 
      1  -0.299464D+01  0.237432D+01  0.630373D+01  0.481543D+01  0.529024D+00
      2  -0.382658D+01 -0.372765D+01 -0.568642D+00  0.377432D+01 -0.139897D+02
      3   0.136806D+00  0.533019D+01 -0.101505D+02 -0.201056D+01  0.284829D+01
                26            27            28            29            30 
      1   0.638389D+01 -0.675295D+01  0.243467D+01 -0.471320D+01 -0.248196D+01
      2   0.135710D+01  0.508723D+01  0.382369D+01 -0.297826D+01  0.618821D+01
      3  -0.198654D+01 -0.104110D+01  0.704509D+01 -0.133383D+02 -0.299949D+00
                31            32            33            34            35 
      1  -0.459701D+01  0.171717D+01 -0.248904D+01 -0.120092D+01  0.288648D+01
      2  -0.115717D+01  0.107902D+01  0.238804D+00  0.295907D+01  0.148380D+01
      3  -0.913067D+01  0.490849D+01  0.286741D+01 -0.167224D+01  0.146356D+01
                36            37            38            39            40 
      1   0.216161D+01 -0.555782D+00  0.972816D-01 -0.209305D+00  0.156807D+01
      2  -0.610658D+01  0.162355D+01  0.215902D+01  0.269398D+01  0.202922D+01
      3  -0.156159D+01  0.692992D+01 -0.762739D+01 -0.196690D+01  0.132179D+01
                41            42            43            44            45 
      1   0.556542D+00 -0.196832D+01 -0.107956D+01  0.171873D+01 -0.221810D+01
      2   0.173675D+01 -0.530159D+01 -0.731787D+01 -0.395238D+01  0.119693D+02
      3   0.454191D+01 -0.225085D+01 -0.185294D+01 -0.354162D+01  0.414956D+01
                46            47            48            49            50 
      1  -0.151775D+01  0.405424D+00  0.209775D+01  0.117390D+01  0.664160D+01
      2  -0.425913D+00 -0.241203D+00  0.324796D+01  0.482982D-01  0.597895D+00
      3   0.115434D+02 -0.690795D+01  0.111562D+01  0.364032D+01  0.891309D+00
                51            52            53            54            55 
      1  -0.179446D+01  0.149421D+01  0.910643D+01  0.562484D+01 -0.756605D+00
      2   0.747640D+00 -0.322405D+01  0.685479D+00  0.103973D+00  0.139469D+01
      3  -0.134514D+01  0.153524D+01 -0.809796D+00 -0.277904D+01 -0.120497D+01
                56            57            58            59            60 
      1   0.104352D+01  0.435217D+01  0.851530D-01 -0.287437D+01 -0.895072D+01
      2  -0.454221D+00  0.616008D+01  0.390417D+01  0.182947D+01 -0.578143D+01
      3  -0.740135D+01  0.121203D+01  0.477140D+01  0.164916D+02 -0.148926D+01
                61            62            63            64            65 
      1  -0.167190D+00  0.201555D+01  0.238294D+01  0.403080D-02 -0.640215D+00
      2   0.210532D+01 -0.419493D+01  0.186373D+01 -0.192938D-01  0.384146D-01
      3  -0.904514D+00 -0.103841D+01  0.442670D+01 -0.632969D+00 -0.477357D+00
                66            67            68            69            70 
      1  -0.206635D+00  0.249203D+00 -0.112214D+01 -0.645249D+00 -0.324677D+00
      2   0.862964D+00  0.813027D+00  0.166134D+00  0.650894D+00 -0.295220D+01
      3   0.357596D+00  0.206277D+01 -0.817745D-01 -0.150131D+00 -0.970420D+00
                71            72            73            74            75 
      1   0.369436D+01  0.114224D+01 -0.137044D+01 -0.637534D+00  0.451493D+00
      2   0.350718D+00 -0.108244D+01  0.170655D+01  0.227914D+00 -0.723296D+00
      3   0.903803D+00  0.197930D-01  0.201129D+00 -0.847334D+00  0.604260D+00
                76            77            78            79            80 
      1  -0.391234D+00 -0.112179D+01  0.107261D+01  0.256541D+00  0.365646D+01
      2   0.102261D+01  0.141191D+01 -0.178573D+01 -0.414340D+01 -0.474692D+00
      3   0.314804D+00 -0.443674D-02 -0.111552D+01  0.664478D+00 -0.974870D+00
                81            82            83            84            85 
      1  -0.623551D+01  0.128611D+01 -0.321243D+00  0.595596D+00 -0.301910D+00
      2   0.849853D+01  0.337185D+00 -0.521538D+00  0.446288D+00 -0.938539D+00
      3   0.188595D-02 -0.305936D+01  0.137601D+01 -0.283957D+00  0.548475D+01
                86            87            88            89            90 
      1   0.430628D+01 -0.331397D+01  0.380505D+00 -0.332483D+00  0.166535D+00
      2   0.138558D+01  0.751842D+00 -0.927169D+00  0.756805D+00  0.552484D+00
      3  -0.844274D+01 -0.659290D+00 -0.110730D+01  0.306556D+00 -0.110417D+01
                91            92            93            94            95 
      1  -0.384869D+01  0.396172D+01  0.353947D+00  0.439346D+01 -0.321920D+01
      2  -0.378570D+01  0.275926D+01 -0.158874D+01  0.191613D+01 -0.324439D+01
      3  -0.905448D+01  0.877912D+01  0.147246D+01  0.107582D+02 -0.113270D+02
                96            97            98            99           100 
      1  -0.215380D+01  0.172353D-01  0.649330D+00  0.122307D+01  0.246789D+01
      2   0.202614D+01 -0.187150D+01  0.185824D+01 -0.192735D+00  0.754233D+00
      3  -0.604606D+00  0.895655D+00  0.554103D-01 -0.901119D+00 -0.137465D+02
               101           102           103           104           105 
      1  -0.967877D+00  0.274332D+01 -0.523511D-01  0.823313D+00 -0.969161D+00
      2  -0.381506D+00  0.218400D+01 -0.185487D-01  0.391928D+00 -0.852971D+00
      3  -0.204439D+00 -0.157815D+01  0.256704D+01 -0.189600D+01 -0.578414D+00
               106           107           108           109           110 
      1   0.423884D+00 -0.310389D+00  0.896278D+00 -0.272235D+00 -0.993833D+00
      2  -0.476422D+00 -0.524762D+00  0.341050D+00 -0.414137D+00 -0.129422D+00
      3  -0.367784D+01  0.694420D-01  0.162644D+00  0.948683D+00  0.729229D+00
               111           112           113           114           115 
      1  -0.290190D+01  0.714603D-01 -0.336147D+01 -0.600483D+01 -0.980485D+00
      2  -0.190014D+00 -0.643067D+00 -0.743546D+00 -0.850633D+00 -0.199973D+01
      3   0.350516D+00  0.277713D+01  0.117511D+01  0.591812D+00  0.212949D+01
               116           117           118           119           120 
      1  -0.428565D+01 -0.760375D+01  0.355538D+00 -0.155040D+00 -0.492632D+00
      2  -0.969493D+00 -0.808642D+00 -0.429279D+01 -0.154384D+01  0.561106D+01
      3   0.145865D+01  0.222560D+01 -0.109510D+01 -0.240876D+01  0.109833D+01
               121           122           123           124           125 
      1   0.103064D+00 -0.288140D+00 -0.129880D+01  0.967668D-01  0.136631D+01
      2  -0.278901D+01 -0.294445D+01  0.544095D+01  0.640690D+01  0.395377D+01
      3  -0.125326D+01 -0.215288D+01  0.265517D+01  0.154707D+01  0.448524D+01
               126 
      1   0.185211D+01
      2  -0.137096D+02
      3  -0.339245D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.218812D+02 -0.216385D+01 -0.212864D+01  0.450695D+01  0.149746D+02
      2   0.103653D+02  0.414381D+01 -0.114153D+01 -0.434795D+00 -0.201480D+02
      3   0.115159D+02 -0.197996D+01  0.327017D+01 -0.407216D+01  0.517334D+01
      4   0.126635D+00 -0.103004D+01  0.124149D+01  0.834076D+01 -0.592898D+01
      5  -0.128662D+01  0.444102D+00 -0.208489D+01  0.161453D+01  0.100382D+01
      6   0.277835D+01  0.233028D+01  0.226692D+01  0.158436D+01 -0.250647D+00
                 6             7             8             9            10 
      1  -0.409000D+00  0.408957D+01 -0.788221D+00  0.126826D+02 -0.324403D+01
      2  -0.241327D+01 -0.251839D+01 -0.857080D+00  0.348688D+01  0.365230D+01
      3   0.282227D+01 -0.157119D+01  0.164530D+01 -0.161695D+02 -0.408275D+00
      4   0.771851D+00  0.463849D+01  0.293586D+01  0.561840D+01 -0.406233D+01
      5   0.324176D+01  0.550451D+01  0.248532D+01 -0.105355D+02  0.856424D+00
      6   0.279302D+01  0.270048D+01  0.165272D+01 -0.177725D+01 -0.161307D+01
                11            12            13            14            15 
      1  -0.197920D+01 -0.140441D+00  0.675499D+00  0.615528D+01 -0.494256D+01
      2   0.386961D+01 -0.137196D+01  0.130184D+01 -0.573557D+01 -0.280661D+01
      3  -0.189041D+01  0.151240D+01 -0.197734D+01 -0.419708D+00  0.774917D+01
      4   0.325909D+01 -0.299444D+01 -0.821276D+01 -0.633934D-01  0.224524D+01
      5  -0.104398D+01  0.229221D+01 -0.171027D+00  0.186701D+01 -0.131946D+01
      6  -0.238731D+01  0.190042D+00  0.317172D+01  0.985015D+00 -0.103819D+02
                16            17            18            19            20 
      1  -0.422763D+01 -0.365328D+01  0.267989D+01 -0.213692D+01 -0.598763D+01
      2  -0.119305D+01 -0.416481D+01  0.115655D+02 -0.209194D+01  0.916789D+01
      3   0.542068D+01  0.781809D+01 -0.142454D+02  0.422886D+01 -0.318025D+01
      4  -0.255513D+01 -0.249337D+01 -0.446446D+01  0.715223D+01 -0.163519D+02
      5  -0.157600D+01 -0.231600D+01  0.744448D+01 -0.146128D+01  0.699181D+01
      6  -0.336554D+01  0.560159D+00  0.545702D+01  0.158280D+01  0.142187D+00
                21            22            23            24            25 
      1  -0.139138D+01  0.533068D+01 -0.162128D+01  0.473662D+00 -0.335059D+01
      2  -0.352617D+01 -0.142236D+01 -0.114790D+02 -0.623513D+01  0.943149D+00
      3   0.491755D+01 -0.390833D+01  0.131003D+02  0.576147D+01  0.240744D+01
      4   0.587051D+01 -0.242702D+02  0.204217D+02 -0.242879D+01  0.103318D+02
      5  -0.903366D+01  0.107264D+02 -0.358639D+01  0.703943D+01 -0.209928D+01
      6   0.330361D+01 -0.132913D+01  0.451201D+01 -0.832250D+01  0.912075D+00
                26            27            28            29            30 
      1   0.367379D+01 -0.429278D+01  0.300560D+02  0.367328D+01 -0.489476D+01
      2   0.232779D+01 -0.187114D+01 -0.185323D+02  0.725022D+00  0.761513D+01
      3  -0.600158D+01  0.616392D+01 -0.115237D+02 -0.439830D+01 -0.272038D+01
      4   0.231943D+01  0.268479D+01  0.168123D+02  0.168225D+02 -0.564121D+01
      5   0.175177D+01  0.353989D+01 -0.106767D+02 -0.424764D+01  0.142674D+02
      6   0.381254D+01  0.556696D+01 -0.287050D+01 -0.188337D+01  0.419154D+01
                31            32            33            34            35 
      1  -0.538050D+01  0.733673D+01  0.224753D+01  0.715601D-01 -0.798591D+00
      2   0.712936D+01 -0.127429D+00  0.222090D+00  0.215756D+01  0.844223D+00
      3  -0.174885D+01 -0.720930D+01 -0.246962D+01 -0.222912D+01 -0.456318D-01
      4   0.152649D+02  0.874176D+01 -0.231864D+01 -0.547512D+01 -0.473630D+01
      5  -0.177352D+01 -0.382441D+01  0.171961D+01  0.134785D+02  0.549650D+01
      6  -0.986343D+00 -0.202110D+01  0.752116D+01  0.266352D+01  0.565274D+01
                36            37            38            39            40 
      1   0.777569D+00  0.490520D+02 -0.230226D+01  0.755834D+01 -0.125054D+02
      2  -0.979388D+01 -0.252237D+02  0.123830D+01 -0.407826D+01  0.799682D+01
      3   0.901631D+01 -0.238284D+02  0.106396D+01 -0.348008D+01  0.450860D+01
      4   0.651863D+01  0.232710D+01  0.109362D+02  0.494825D+01  0.644304D+01
      5  -0.141704D+02  0.110370D+02  0.356365D+01  0.491614D+01  0.353821D+01
      6  -0.426734D+01  0.188324D+01  0.682363D+00 -0.996376D+00  0.252252D+01
                41            42            43            44            45 
      1   0.930098D+00  0.283841D+01  0.108609D+02  0.237769D+01 -0.428186D+01
      2   0.392334D+01 -0.910015D+00 -0.747977D+01 -0.670003D+00 -0.113780D+01
      3  -0.485344D+01 -0.192839D+01 -0.338111D+01 -0.170769D+01  0.541966D+01
      4  -0.360495D+01  0.499863D+01  0.662948D+01  0.648369D+01 -0.809708D+01
      5   0.490893D+01 -0.907147D+01  0.160787D+00 -0.763395D+01  0.211390D+02
      6   0.183372D+01  0.114218D+01 -0.210132D+01  0.135756D+01  0.581923D+01
                46            47            48            49            50 
      1   0.631610D+00  0.353597D+01 -0.267341D+01  0.169823D+01 -0.123744D+02
      2  -0.343741D+01 -0.133504D+01  0.282792D+01 -0.139365D+01  0.224777D+02
      3   0.280580D+01 -0.220093D+01 -0.154508D+00 -0.304581D+00 -0.101033D+02
      4   0.133284D+02 -0.311582D+01  0.113519D+01  0.382500D+01 -0.144243D+01
      5  -0.147065D+01 -0.536607D+00  0.585105D+01 -0.356448D+00 -0.166351D+00
      6   0.155452D+01 -0.486354D+00 -0.518584D+01 -0.408570D+01 -0.108270D+02
                51            52            53            54            55 
      1   0.726674D+01 -0.257177D+00  0.908715D+01  0.537335D+01  0.219452D+02
      2  -0.611123D+01  0.209658D+01 -0.814698D+01 -0.904700D+01 -0.744861D+01
      3  -0.115551D+01 -0.183940D+01 -0.940172D+00  0.367365D+01 -0.144966D+02
      4  -0.164553D+01  0.235884D+01  0.133128D+01 -0.184411D+01 -0.242412D+02
      5   0.686666D+00  0.444573D+01  0.493613D+00 -0.983985D+00  0.878715D+01
      6   0.299316D+00 -0.397971D+01 -0.728192D+01 -0.126813D+02 -0.261563D+01
                56            57            58            59            60 
      1  -0.837710D+01  0.281804D+01 -0.911823D+01 -0.904767D+01  0.183310D+01
      2  -0.285687D+01 -0.228877D+01 -0.210537D+01  0.302997D+02 -0.433391D-01
      3   0.112340D+02 -0.529269D+00  0.112236D+02 -0.212520D+02 -0.178976D+01
      4   0.251905D+02 -0.541836D+01  0.300540D+02 -0.439142D+02  0.651081D+01
      5  -0.631831D+01  0.124256D+02 -0.580383D+01  0.859697D+01 -0.127908D+02
      6   0.210412D+01 -0.603851D+01  0.387475D+01 -0.515209D+01  0.135140D+02
                61            62            63            64            65 
      1   0.421312D+01  0.122241D+01 -0.719067D+00  0.668914D+00  0.495769D+00
      2  -0.242453D+01 -0.112342D+01 -0.155542D+01 -0.378246D+01 -0.122377D+01
      3  -0.178859D+01 -0.989872D-01  0.227448D+01  0.311354D+01  0.728003D+00
      4  -0.508388D+01  0.455809D+01 -0.119276D+02  0.131383D+01  0.215831D+01
      5   0.133391D+02 -0.118322D+02  0.924957D+01 -0.248668D+01 -0.157837D+01
      6  -0.610969D+01  0.112294D+02 -0.583172D+01 -0.150468D+01 -0.525441D+00
                66            67            68            69            70 
      1  -0.225281D+00 -0.708653D-01 -0.441904D+01  0.398349D+01  0.132038D+01
      2   0.187014D+01 -0.110415D+01 -0.734690D-01  0.237721D+01  0.207186D+01
      3  -0.164486D+01  0.117501D+01  0.449251D+01 -0.636069D+01 -0.339224D+01
      4  -0.102332D+01  0.376576D+01  0.182517D+01 -0.179223D+01 -0.142633D+01
      5   0.682973D+01 -0.192350D+01 -0.170895D+01  0.250031D+01  0.590868D+01
      6   0.623028D+00 -0.149742D+01 -0.505359D+01  0.882931D+01  0.184963D+01
                71            72            73            74            75 
      1   0.300570D+01 -0.159948D+02  0.844900D+00 -0.559441D+00  0.373709D+01
      2   0.477769D+01 -0.162016D+02 -0.351388D+01  0.106801D+00  0.267500D-01
      3  -0.778339D+01  0.321964D+02  0.266898D+01  0.452640D+00 -0.376384D+01
      4  -0.154690D+01  0.234886D+01 -0.678213D+00  0.451788D+00  0.625876D+00
      5   0.163936D+01 -0.663805D+01  0.573032D+00 -0.461029D+00  0.417358D+01
      6   0.659269D+01 -0.819666D+01 -0.366177D-01 -0.865634D+00 -0.755469D+00
                76            77            78            79            80 
      1  -0.246019D+01 -0.415979D+01  0.196965D+01  0.473061D+01  0.406561D-01
      2   0.129721D+01  0.180690D+01  0.249704D+01 -0.172837D+01  0.186641D+01
      3   0.116298D+01  0.235288D+01 -0.446669D+01 -0.300224D+01 -0.190707D+01
      4  -0.693854D+00 -0.850773D+00  0.234264D+01  0.137752D+01  0.230526D+01
      5  -0.608958D+00  0.188117D+01 -0.326740D+01  0.424036D+01 -0.431985D+00
      6   0.454892D-01 -0.936227D+00  0.372219D+01 -0.203373D+00  0.439642D+01
                81            82            83            84            85 
      1  -0.173575D+02 -0.144254D+01  0.474562D+01  0.304271D+00  0.555584D+01
      2  -0.124407D+02  0.379733D+01 -0.440665D+01  0.516176D-01 -0.427961D+01
      3   0.297982D+02 -0.235479D+01 -0.338974D+00 -0.355889D+00 -0.127624D+01
      4  -0.205941D+01  0.827821D+00  0.373993D+01  0.526464D-02  0.434099D+01
      5   0.141400D+02 -0.424859D+00  0.741283D+00  0.593209D+00  0.899896D+00
      6   0.531073D+01  0.257601D+00 -0.829126D+00 -0.760131D+00 -0.464596D+00
                86            87            88            89            90 
      1  -0.213995D+02 -0.222313D+01 -0.127384D+01  0.516519D+00 -0.455756D+01
      2   0.340836D+02  0.143899D+01  0.103571D+01 -0.150848D+01  0.260317D+01
      3  -0.126841D+02  0.784137D+00  0.238121D+00  0.991961D+00  0.195440D+01
      4   0.137473D+02  0.841017D+00 -0.596785D+00 -0.131610D+01  0.922483D+00
      5   0.289458D+00  0.150091D+01  0.316696D+00  0.158709D+01  0.668895D+00
      6   0.538270D+01  0.565551D+01 -0.826240D+00  0.540388D+01  0.109902D+00
                91            92            93            94            95 
      1  -0.112163D+02  0.402206D+01  0.126980D+01  0.100146D+02 -0.845023D+01
      2   0.921135D+01 -0.147087D+01 -0.290802D+01 -0.595993D+01  0.101367D+02
      3   0.200491D+01 -0.255120D+01  0.163822D+01 -0.405465D+01 -0.168650D+01
      4  -0.130539D+01 -0.185888D+01  0.178407D+01  0.471035D+01  0.107724D+02
      5   0.293451D+01  0.368578D+00 -0.381291D+01 -0.258624D+01 -0.194931D+01
      6   0.197403D+01  0.721886D-01  0.404224D+00 -0.219534D+01 -0.468589D+01
                96            97            98            99           100 
      1   0.545121D+00  0.947299D+00  0.276523D+01 -0.323776D+01  0.112141D+02
      2  -0.365869D+00 -0.894728D+00 -0.228428D+01  0.134749D+01 -0.552386D+00
      3  -0.179252D+00 -0.525702D-01 -0.480944D+00  0.189026D+01 -0.106617D+02
      4  -0.407650D+01  0.193206D+00 -0.148057D+01  0.162868D+01 -0.204351D+02
      5   0.422851D+01  0.104463D+01  0.171348D+01 -0.899324D+00 -0.822436D+00
      6   0.385811D+01  0.544944D-01  0.384579D+01 -0.397568D+01 -0.143413D+01
               101           102           103           104           105 
      1   0.103783D+01  0.268132D+01 -0.136640D+01  0.492232D+00 -0.465840D-01
      2  -0.711142D+01 -0.542470D+00 -0.279591D+01  0.354306D+01 -0.328690D+00
      3   0.607359D+01 -0.213885D+01  0.416231D+01 -0.403529D+01  0.375274D+00
      4   0.134596D+02 -0.185125D+01  0.972333D+01 -0.618303D+01  0.641694D-01
      5   0.580467D+00  0.257017D+01  0.880860D+00 -0.257241D+00 -0.108556D+01
      6  -0.125561D+01 -0.423780D+01 -0.709752D+00  0.443395D+00  0.239012D+01
               106           107           108           109           110 
      1   0.112918D+01 -0.313653D-01  0.449876D-01 -0.996546D+00 -0.246904D+01
      2  -0.305290D+00 -0.956785D+00 -0.244296D+00  0.112304D+01  0.201137D+01
      3  -0.823888D+00  0.988150D+00  0.199308D+00 -0.126499D+00  0.457669D+00
      4  -0.463309D+01  0.113622D+01 -0.146459D+01  0.666019D+00  0.378920D+01
      5   0.241479D+01 -0.989859D+00  0.276123D+00  0.645279D+00  0.182249D+01
      6  -0.814881D+00  0.254458D+01 -0.116344D+01  0.261436D+01  0.358084D+01
               111           112           113           114           115 
      1  -0.225320D+01 -0.158017D+01 -0.129934D+02 -0.841456D+01 -0.207793D+01
      2   0.812601D+00  0.119300D+01  0.149913D+02  0.827629D+01  0.670989D+00
      3   0.144059D+01  0.387174D+00 -0.199785D+01  0.138271D+00  0.140694D+01
      4   0.272932D+01  0.402971D+01 -0.185298D+01 -0.733126D+00  0.301542D+01
      5   0.206740D+01  0.994157D+00 -0.121178D+01 -0.203765D+01  0.242205D+01
      6   0.523023D+01  0.626163D+00  0.158939D+02  0.156062D+02  0.264321D+01
               116           117           118           119           120 
      1  -0.127545D+02 -0.137241D+02  0.140205D+02  0.384759D+01 -0.756641D+01
      2   0.103821D+02  0.668647D+01 -0.732454D+01 -0.161799D+01  0.410534D+01
      3   0.237240D+01  0.703763D+01 -0.669594D+01 -0.222961D+01  0.346107D+01
      4  -0.109670D+01  0.344900D+00  0.630764D+01  0.526687D+01 -0.411734D+01
      5  -0.178694D+01 -0.114965D+01 -0.838269D+01 -0.303239D+01  0.103614D+02
      6   0.191752D+02  0.199611D+02 -0.257028D+01 -0.679153D+00  0.176452D+01
               121           122           123           124           125 
      1   0.594019D+01  0.276481D+01 -0.331790D+01 -0.147231D+02 -0.285922D+01
      2  -0.190285D+01 -0.757094D-01  0.794602D+00  0.902060D+01  0.131760D+01
      3  -0.403734D+01 -0.268910D+01  0.252330D+01  0.570252D+01  0.154163D+01
      4   0.831586D+01  0.647206D+01 -0.695801D+01 -0.877446D+01 -0.839988D+01
      5  -0.543049D+01 -0.584293D+01  0.865512D+01  0.160362D+02  0.796352D+01
      6  -0.273520D+01 -0.283019D+01  0.478962D+01  0.471705D+01  0.377552D+01
               126 
      1   0.832949D+01
      2  -0.767531D+01
      3  -0.654184D+00
      4   0.979054D+01
      5  -0.242596D+02
      6  -0.703754D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:11:47 2021, MaxMem=  5368709120 cpu:            3536.8 elap:             443.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31387 -19.30218 -19.25860 -14.47200 -10.43136
 Alpha  occ. eigenvalues --  -10.36909 -10.35949  -1.21309  -1.15773  -1.13021
 Alpha  occ. eigenvalues --   -1.02595  -0.86475  -0.76335  -0.69841  -0.63799
 Alpha  occ. eigenvalues --   -0.63336  -0.61984  -0.57939  -0.54236  -0.53410
 Alpha  occ. eigenvalues --   -0.52574  -0.50346  -0.46849  -0.44749  -0.40575
 Alpha  occ. eigenvalues --   -0.40355  -0.38272  -0.35374
 Alpha virt. eigenvalues --    0.02310   0.03966   0.04736   0.05497   0.06771
 Alpha virt. eigenvalues --    0.07192   0.07577   0.08203   0.10213   0.11277
 Alpha virt. eigenvalues --    0.11677   0.12963   0.13329   0.14349   0.15065
 Alpha virt. eigenvalues --    0.15681   0.15823   0.16314   0.17598   0.18605
 Alpha virt. eigenvalues --    0.18810   0.19442   0.19700   0.21574   0.23492
 Alpha virt. eigenvalues --    0.24530   0.25011   0.25468   0.26194   0.26904
 Alpha virt. eigenvalues --    0.27977   0.28847   0.29601   0.30062   0.30569
 Alpha virt. eigenvalues --    0.31431   0.32039   0.32523   0.33684   0.33846
 Alpha virt. eigenvalues --    0.34827   0.36424   0.37138   0.38629   0.40334
 Alpha virt. eigenvalues --    0.40791   0.42074   0.43081   0.43502   0.44259
 Alpha virt. eigenvalues --    0.44573   0.46023   0.46748   0.48237   0.48947
 Alpha virt. eigenvalues --    0.49794   0.50990   0.51690   0.53115   0.53490
 Alpha virt. eigenvalues --    0.54093   0.56494   0.59646   0.61083   0.61440
 Alpha virt. eigenvalues --    0.61629   0.62373   0.62778   0.63668   0.65277
 Alpha virt. eigenvalues --    0.67150   0.67756   0.68754   0.69351   0.70421
 Alpha virt. eigenvalues --    0.72407   0.73958   0.75775   0.76924   0.77109
 Alpha virt. eigenvalues --    0.78547   0.79134   0.81383   0.82421   0.83908
 Alpha virt. eigenvalues --    0.85905   0.86566   0.88802   0.90673   0.90847
 Alpha virt. eigenvalues --    0.93862   0.96880   0.98427   0.98980   1.00186
 Alpha virt. eigenvalues --    1.02943   1.03658   1.06809   1.08917   1.10956
 Alpha virt. eigenvalues --    1.12094   1.13743   1.14624   1.16375   1.17249
 Alpha virt. eigenvalues --    1.17972   1.21535   1.23015   1.24086   1.27583
 Alpha virt. eigenvalues --    1.29268   1.31768   1.32224   1.34045   1.38954
 Alpha virt. eigenvalues --    1.40801   1.42620   1.47178   1.50065   1.53147
 Alpha virt. eigenvalues --    1.54124   1.56420   1.57254   1.60208   1.61517
 Alpha virt. eigenvalues --    1.64874   1.67645   1.71043   1.71435   1.75011
 Alpha virt. eigenvalues --    1.77898   1.79272   1.82343   1.84648   1.85314
 Alpha virt. eigenvalues --    1.86883   1.88815   1.92172   1.94228   1.96402
 Alpha virt. eigenvalues --    1.99011   2.00574   2.01312   2.05359   2.07321
 Alpha virt. eigenvalues --    2.11334   2.13701   2.17493   2.18958   2.19973
 Alpha virt. eigenvalues --    2.21112   2.23541   2.25158   2.25907   2.28804
 Alpha virt. eigenvalues --    2.32906   2.33717   2.35961   2.40341   2.42347
 Alpha virt. eigenvalues --    2.45586   2.47813   2.54266   2.54943   2.61326
 Alpha virt. eigenvalues --    2.64732   2.67422   2.68681   2.73294   2.75134
 Alpha virt. eigenvalues --    2.79752   2.84048   2.86944   2.91422   3.00656
 Alpha virt. eigenvalues --    3.06942   3.11332   3.21356   3.30371   3.38689
 Alpha virt. eigenvalues --    3.44036   3.45149   3.47117   3.47954   3.48317
 Alpha virt. eigenvalues --    3.51610   3.52696   3.54363   3.55883   3.57510
 Alpha virt. eigenvalues --    3.63256   3.69236   3.80206   3.90286   3.99450
 Alpha virt. eigenvalues --    4.06047
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.416867   0.207741  -0.064753   0.014896   0.079578  -0.043920
     2  C    0.207741   6.275711  -0.494923   0.152035   0.125757   0.140212
     3  C   -0.064753  -0.494923   5.809303  -0.169167   0.003324   0.011658
     4  O    0.014896   0.152035  -0.169167   8.375698  -0.003419  -0.080959
     5  O    0.079578   0.125757   0.003324  -0.003419   8.255577  -0.032628
     6  N   -0.043920   0.140212   0.011658  -0.080959  -0.032628   6.570514
     7  O    0.029280  -0.037207   0.315021  -0.073823  -0.003821  -0.013369
     8  H    0.108559  -0.436993  -0.083569   0.001380  -0.018573  -0.090312
     9  H    0.223150  -0.199452  -0.068098   0.025639  -0.199816  -0.039551
    10  H    0.058346   0.075609   0.002558  -0.007408  -0.031620   0.031068
    11  H   -0.012519  -0.127595  -0.035204   0.227005   0.000956   0.074314
    12  H   -0.058216  -0.118644   0.007537   0.002797   0.023325   0.300711
    13  H   -0.011305   0.130053  -0.035467  -0.004497  -0.001261   0.369710
    14  H   -0.004134  -0.035853  -0.006132   0.000890   0.311767  -0.005422
               7          8          9         10         11         12
     1  C    0.029280   0.108559   0.223150   0.058346  -0.012519  -0.058216
     2  C   -0.037207  -0.436993  -0.199452   0.075609  -0.127595  -0.118644
     3  C    0.315021  -0.083569  -0.068098   0.002558  -0.035204   0.007537
     4  O   -0.073823   0.001380   0.025639  -0.007408   0.227005   0.002797
     5  O   -0.003821  -0.018573  -0.199816  -0.031620   0.000956   0.023325
     6  N   -0.013369  -0.090312  -0.039551   0.031068   0.074314   0.300711
     7  O    8.295955   0.024031   0.011480  -0.005999   0.017035  -0.000721
     8  H    0.024031   1.808998   0.116863  -0.075180   0.013025   0.040524
     9  H    0.011480   0.116863   1.769914  -0.376044  -0.001439  -0.009739
    10  H   -0.005999  -0.075180  -0.376044   1.632877   0.004364   0.011160
    11  H    0.017035   0.013025  -0.001439   0.004364   0.636429   0.004961
    12  H   -0.000721   0.040524  -0.009739   0.011160   0.004961   0.905332
    13  H    0.002689  -0.107751  -0.002734  -0.005514  -0.013387  -0.143336
    14  H    0.001187   0.004528   0.044809  -0.074573  -0.000735  -0.001074
              13         14
     1  C   -0.011305  -0.004134
     2  C    0.130053  -0.035853
     3  C   -0.035467  -0.006132
     4  O   -0.004497   0.000890
     5  O   -0.001261   0.311767
     6  N    0.369710  -0.005422
     7  O    0.002689   0.001187
     8  H   -0.107751   0.004528
     9  H   -0.002734   0.044809
    10  H   -0.005514  -0.074573
    11  H   -0.013387  -0.000735
    12  H   -0.143336  -0.001074
    13  H    0.839404   0.001632
    14  H    0.001632   0.636799
 Mulliken charges:
               1
     1  C    1.056428
     2  C    0.343548
     3  C    0.807912
     4  O   -0.461067
     5  O   -0.509146
     6  N   -0.192026
     7  O   -0.561737
     8  H   -0.305533
     9  H   -0.294983
    10  H   -0.239643
    11  H    0.212789
    12  H    0.035383
    13  H   -0.018236
    14  H    0.126310
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.521802
     2  C    0.038016
     3  C    0.807912
     4  O   -0.248278
     5  O   -0.382836
     6  N   -0.174879
     7  O   -0.561737
 Electronic spatial extent (au):  <R**2>=            811.8063
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.5292    Y=              2.0901    Z=              1.7347  Tot=              4.4534
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -50.8830   YY=            -40.8122   ZZ=            -39.0466
   XY=              5.1450   XZ=             -3.4616   YZ=              2.1196
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.3024   YY=              2.7684   ZZ=              4.5340
   XY=              5.1450   XZ=             -3.4616   YZ=              2.1196
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.6637  YYY=             11.0230  ZZZ=              1.7548  XYY=            -10.7068
  XXY=              3.8068  XXZ=             12.9921  XZZ=             -3.5731  YZZ=              2.7037
  YYZ=              2.3206  XYZ=              4.9416
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -660.1285 YYYY=           -253.5511 ZZZZ=            -94.3886 XXXY=             20.0998
 XXXZ=            -33.9218 YYYX=             12.5454 YYYZ=             10.3637 ZZZX=             -2.3805
 ZZZY=              1.8014 XXYY=           -145.2115 XXZZ=           -115.9346 YYZZ=            -54.7403
 XXYZ=             -6.5739 YYXZ=             -8.6335 ZZXY=              4.2045
 N-N= 3.233134299091D+02 E-N=-1.581869830209D+03  KE= 3.965446530755D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:11:47 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.40490352D+00 8.25059592D-01 6.96984983D-01
 Polarizability= 6.00535858D+01-1.74616698D+00 5.74968900D+01
                -2.03350776D+00-2.55419927D+00 4.66994175D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.0887    1.0892       -0.9310   -0.9301
 2     -1.0887   -1.0892        1.3529    1.3530       -1.4598   -1.4598
 3      0.9310    0.9301        7.1122    7.1102       -1.3517   -1.3530
 4     -1.3529   -1.3530       -0.0000    0.0000        0.9294    0.9301
 5     -5.6523   -5.6505       -0.9294   -0.9301        1.0884    1.0892
 6      1.3517    1.3530       -1.0884   -1.0892        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.2677   -3.2677       -2.7904   -2.7904
 2     -4.0589   -4.0589        0.0000    0.0000       -2.7904   -2.7904
 3     -4.0589   -4.0589       -3.2677   -3.2677       -0.0000    0.0000
 4     -3.2677   -3.2677        4.0589    4.0589       -4.3793   -4.3793
 5      2.7904    2.7904       21.3307   21.3307       -4.0589   -4.0589
 6    -16.9514  -16.9514       -2.7904   -2.7904        3.2677    3.2677
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1655    0.0000       -4.4068   -4.3570        3.6711    3.7206
 2      4.4950    4.3570       -5.3182   -5.4119        5.6269    5.8391
 3     -3.6700   -3.7206      -28.5000  -28.4410        5.1272    5.4119
 4      5.4248    5.4119        0.0162    0.0000       -3.7166   -3.7206
 5     22.6459   22.6019        3.7292    3.7206       -4.6615   -4.3570
 6     -5.3737   -5.4119        4.2806    4.3570       -0.0417    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0867    0.0000        5.4897    5.5697        1.3925    1.3370
 2     -5.8571   -5.5697      -12.5944  -12.6972       17.0638   16.8553
 3     -1.2241   -1.3370        1.7352    1.9446       12.1767   12.6972
 4     12.6026   12.6972        0.0058    0.0000       -1.5656   -1.3370
 5    -18.8666  -18.8000        1.5891    1.3370        5.4611    5.5697
 6    -12.6704  -12.6972       -5.5487   -5.5697       -0.0663    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.1045    8.1828       16.5140   16.4423      -10.6140  -10.5836
 2     24.2212   24.3829       16.6309   16.6707      -10.5037  -10.5836
 3     24.1296   24.3829       16.4137   16.4423      -11.6014  -11.7803
 4     -0.3886   -0.2284      -16.0999  -16.2002       14.9703   14.8297
 5     -1.1644   -1.1967       20.0947   20.2375       16.0923   16.2002
 6    -34.9405  -35.0672        1.4808    1.1967       -0.1643    0.2284
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.5836   -0.0004    0.0007    0.0010    0.7792    3.7127
 Low frequencies ---   82.7834  129.3509  192.3251
 Diagonal vibrational polarizability:
       37.1241251      41.1371557      21.8017013
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     82.7833               129.3508               192.3251
 Red. masses --      6.3059                 2.5858                 5.7991
 Frc consts  --      0.0255                 0.0255                 0.1264
 IR Inten    --      2.6980                12.7116                 8.1281
 RamAct Fr= 1--      0.7734                 0.3195                 0.4664
  Dep-P Fr= 1--      0.7400                 0.6599                 0.6825
  Dep-U Fr= 1--      0.8505                 0.7951                 0.8113
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0006
 Beta2  Fr= 1--      0.1096                 0.0423                 0.0631
 AlphaG Fr= 1--      0.0008                -0.0011                 0.0005
 Gamma2 Fr= 1--      0.1524                 0.1076                -0.0251
 Delta2 Fr= 1--      0.0691                 0.0104                 0.0003
 Raman1 Fr= 1--       3.094                  1.278                  1.865
 ROA1   Fr= 1--      16.840                 10.661                 -2.395
 CID1   Fr= 1--       5.444                  8.343                 -1.284
 Raman2 Fr= 1--       1.316                  0.508                  0.757
 ROA2   Fr= 1--       3.104                  2.499                 -0.604
 CID2   Fr= 1--       2.359                  4.919                 -0.798
 Raman3 Fr= 1--       2.631                  1.016                  1.513
 ROA3   Fr= 1--      16.840                 10.661                 -2.395
 CID3   Fr= 1--       6.400                 10.493                 -1.583
 RC180  Fr= 1--       0.701                  0.590                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.05   0.06     0.01  -0.14   0.17    -0.20  -0.03  -0.13
     2   6    -0.00   0.08  -0.09     0.02  -0.03   0.08    -0.03  -0.19  -0.18
     3   6    -0.00   0.02  -0.03     0.01   0.00  -0.01     0.07  -0.04  -0.03
     4   8     0.21   0.12   0.31    -0.04   0.06   0.02     0.07   0.09   0.12
     5   8    -0.03  -0.13   0.16     0.03   0.16  -0.12    -0.11   0.20   0.15
     6   7     0.00   0.07  -0.24    -0.05  -0.06  -0.02    -0.04  -0.18  -0.11
     7   8    -0.17  -0.11  -0.22     0.04  -0.01  -0.10     0.24   0.08   0.11
     8   1     0.01   0.22  -0.04     0.10   0.05   0.11    -0.03  -0.23  -0.19
     9   1    -0.14  -0.13   0.02     0.20  -0.47   0.12    -0.34   0.03  -0.14
    10   1     0.06  -0.03   0.14    -0.17  -0.14   0.50    -0.37  -0.07  -0.24
    11   1     0.23   0.14   0.26    -0.08   0.03   0.07    -0.05  -0.02   0.01
    12   1     0.05   0.04  -0.44    -0.04  -0.14  -0.12    -0.07  -0.18   0.03
    13   1    -0.20   0.13  -0.22    -0.15   0.01  -0.04     0.07  -0.21  -0.12
    14   1     0.09  -0.04   0.25    -0.18   0.42  -0.06    -0.01   0.25   0.21
                      4                      5                      6
                      A                      A                      A
 Frequencies --    312.5194               320.7589               341.2563
 Red. masses --      1.7166                 1.8756                 2.6226
 Frc consts  --      0.0988                 0.1137                 0.1799
 IR Inten    --     22.1805                55.7047                17.3009
 RamAct Fr= 1--      0.7665                 0.5434                 1.4137
  Dep-P Fr= 1--      0.4992                 0.7445                 0.1972
  Dep-U Fr= 1--      0.6660                 0.8535                 0.3295
 Alpha2 Fr= 1--      0.0038                 0.0001                 0.0193
 Beta2  Fr= 1--      0.0851                 0.0773                 0.0776
 AlphaG Fr= 1--     -0.0078                 0.0012                -0.0138
 Gamma2 Fr= 1--      0.2954                -0.2152                 0.1305
 Delta2 Fr= 1--      0.2112                 0.1294                 0.1079
 Raman1 Fr= 1--       3.066                  2.174                  5.655
 ROA1   Fr= 1--      35.113                -16.523                 15.978
 CID1   Fr= 1--      11.452                 -7.601                  2.826
 Raman2 Fr= 1--       1.021                  0.928                  0.932
 ROA2   Fr= 1--       5.399                 -6.201                  2.269
 CID2   Fr= 1--       5.288                 -6.684                  2.435
 Raman3 Fr= 1--       2.042                  1.855                  1.863
 ROA3   Fr= 1--      35.113                -16.523                 15.978
 CID3   Fr= 1--      17.195                 -8.906                  8.576
 RC180  Fr= 1--       0.332                  0.707                 -0.341
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.00  -0.06    -0.06  -0.01   0.00    -0.08  -0.07   0.05
     2   6     0.01   0.00  -0.03    -0.02  -0.00  -0.02    -0.00   0.03  -0.06
     3   6     0.00   0.02  -0.01     0.00  -0.02  -0.01     0.01   0.05  -0.08
     4   8     0.05  -0.04  -0.04    -0.06   0.02   0.01     0.21  -0.02  -0.04
     5   8     0.09   0.02   0.03    -0.09  -0.10  -0.06    -0.11  -0.06  -0.07
     6   7    -0.15  -0.02   0.05     0.16   0.05   0.05    -0.04   0.03   0.12
     7   8    -0.07  -0.01   0.02     0.06   0.01   0.01    -0.04   0.06   0.03
     8   1     0.02  -0.08  -0.05    -0.03   0.02  -0.01     0.13  -0.04  -0.06
     9   1    -0.00   0.04  -0.06    -0.08  -0.05  -0.01    -0.08  -0.30  -0.00
    10   1     0.06  -0.00  -0.09    -0.00  -0.00   0.04    -0.08  -0.05   0.28
    11   1     0.14   0.02  -0.02    -0.07   0.04   0.17     0.31   0.02  -0.24
    12   1    -0.12  -0.16  -0.16     0.28   0.20  -0.35    -0.13   0.09   0.56
    13   1    -0.43  -0.05   0.14    -0.12  -0.05   0.18     0.37  -0.05   0.07
    14   1     0.35   0.59   0.41     0.18   0.64   0.40    -0.12   0.16   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    364.0518               435.0243               567.1648
 Red. masses --      1.2893                 3.5655                 3.9462
 Frc consts  --      0.1007                 0.3976                 0.7479
 IR Inten    --     52.0804                26.1892                 6.9497
 RamAct Fr= 1--      0.5979                 2.0983                 1.7902
  Dep-P Fr= 1--      0.3413                 0.2202                 0.5339
  Dep-U Fr= 1--      0.5089                 0.3610                 0.6962
 Alpha2 Fr= 1--      0.0054                 0.0270                 0.0075
 Beta2  Fr= 1--      0.0507                 0.1262                 0.2077
 AlphaG Fr= 1--      0.0118                -0.0055                 0.0024
 Gamma2 Fr= 1--     -0.0457                -0.0172                 0.1354
 Delta2 Fr= 1--      0.0247                 0.0392                -0.1023
 Raman1 Fr= 1--       2.392                  8.393                  7.161
 ROA1   Fr= 1--      -3.593                 -0.394                  9.722
 CID1   Fr= 1--      -1.502                 -0.047                  1.358
 Raman2 Fr= 1--       0.609                  1.515                  2.493
 ROA2   Fr= 1--      -1.293                 -0.725                  4.067
 CID2   Fr= 1--      -2.125                 -0.479                  1.632
 Raman3 Fr= 1--       1.217                  3.030                  4.985
 ROA3   Fr= 1--      -3.593                 -0.394                  9.722
 CID3   Fr= 1--      -2.952                 -0.130                  1.950
 RC180  Fr= 1--       0.018                 -0.278                  0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01  -0.03    -0.03   0.17   0.06     0.01  -0.08  -0.08
     2   6    -0.01  -0.02   0.00    -0.01   0.06   0.16    -0.11   0.12  -0.16
     3   6    -0.04   0.00   0.02     0.07  -0.06   0.07    -0.03  -0.10   0.06
     4   8    -0.06   0.04   0.04     0.05  -0.09   0.02    -0.08  -0.12   0.07
     5   8     0.05  -0.01  -0.01    -0.13  -0.07  -0.08     0.08   0.03   0.05
     6   7     0.02  -0.03  -0.05    -0.16   0.01  -0.07    -0.09   0.25   0.05
     7   8    -0.04  -0.01  -0.01     0.19  -0.05  -0.10     0.19  -0.05  -0.06
     8   1    -0.05  -0.03  -0.00     0.00   0.13   0.19    -0.32   0.11  -0.19
     9   1     0.03   0.01  -0.02     0.02   0.47   0.15    -0.06  -0.48  -0.19
    10   1     0.05  -0.01  -0.03     0.04   0.16  -0.22     0.04  -0.04   0.33
    11   1    -0.15  -0.05  -0.11     0.06  -0.11  -0.15    -0.00  -0.07   0.06
    12   1    -0.10   0.04   0.49    -0.24  -0.16   0.12    -0.15   0.27   0.28
    13   1     0.60   0.06  -0.25     0.03   0.29  -0.29     0.01  -0.00   0.19
    14   1     0.22   0.38   0.25     0.02   0.32   0.17     0.10  -0.11  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    662.4185               729.8231               855.6674
 Red. masses --      4.7900                 7.4140                 1.4055
 Frc consts  --      1.2384                 2.3267                 0.6063
 IR Inten    --      5.7003                13.2371                66.5510
 RamAct Fr= 1--      0.8936                 5.2819                 2.2039
  Dep-P Fr= 1--      0.7316                 0.0592                 0.3142
  Dep-U Fr= 1--      0.8450                 0.1118                 0.4782
 Alpha2 Fr= 1--      0.0003                 0.1021                 0.0217
 Beta2  Fr= 1--      0.1258                 0.0984                 0.1756
 AlphaG Fr= 1--     -0.0010                 0.0767                -0.0754
 Gamma2 Fr= 1--     -0.2695                -0.4736                 0.6101
 Delta2 Fr= 1--      0.3442                 0.0877                -0.1302
 Raman1 Fr= 1--       3.574                 21.128                  8.815
 ROA1   Fr= 1--     -14.862                -42.658                 54.409
 CID1   Fr= 1--      -4.158                 -2.019                  6.172
 Raman2 Fr= 1--       1.510                  1.181                  2.108
 ROA2   Fr= 1--      -9.222                -12.067                 15.685
 CID2   Fr= 1--      -6.107                -10.219                  7.442
 Raman3 Fr= 1--       3.020                  2.362                  4.215
 ROA3   Fr= 1--     -14.862                -42.658                 54.409
 CID3   Fr= 1--      -4.921                -18.062                 12.907
 RC180  Fr= 1--       0.690                 -0.776                 -0.044
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11  -0.09    -0.07  -0.11  -0.16     0.01  -0.02   0.01
     2   6    -0.19  -0.06   0.13     0.14   0.02  -0.02     0.09  -0.02  -0.02
     3   6    -0.11   0.19   0.25     0.38   0.16   0.42    -0.04   0.03   0.02
     4   8     0.09  -0.16  -0.03    -0.03   0.13  -0.18    -0.05  -0.07   0.01
     5   8     0.04   0.03   0.03    -0.13   0.01   0.02    -0.02  -0.00  -0.01
     6   7     0.09  -0.08  -0.01    -0.01   0.06  -0.01     0.03   0.04  -0.07
     7   8     0.02   0.18  -0.18    -0.10  -0.22  -0.02    -0.00   0.05  -0.01
     8   1    -0.50  -0.08   0.09    -0.27  -0.00  -0.08     0.14   0.08   0.01
     9   1     0.02  -0.02  -0.05    -0.20  -0.29  -0.22    -0.00   0.11   0.05
    10   1    -0.07  -0.12  -0.14    -0.19  -0.11   0.03    -0.03  -0.03  -0.11
    11   1     0.45   0.09  -0.17    -0.23   0.02   0.17     0.33   0.28   0.54
    12   1     0.20   0.20  -0.23    -0.11  -0.13   0.22    -0.17  -0.32   0.43
    13   1     0.11  -0.04  -0.05    -0.02   0.03   0.03    -0.16  -0.25   0.18
    14   1     0.07  -0.01   0.03    -0.02  -0.02   0.04    -0.05   0.05   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    868.2580               888.5196               946.5034
 Red. masses --      1.6679                 1.9432                 1.8659
 Frc consts  --      0.7408                 0.9039                 0.9849
 IR Inten    --     28.1965                65.2702                50.3315
 RamAct Fr= 1--      4.0776                 4.1134                 2.6855
  Dep-P Fr= 1--      0.1012                 0.1123                 0.3879
  Dep-U Fr= 1--      0.1839                 0.2020                 0.5589
 Alpha2 Fr= 1--      0.0712                 0.0699                 0.0208
 Beta2  Fr= 1--      0.1250                 0.1385                 0.2502
 AlphaG Fr= 1--      0.1100                -0.0527                 0.0181
 Gamma2 Fr= 1--     -0.1349                -0.2378                 0.5001
 Delta2 Fr= 1--     -0.0480                -0.0764                 0.1071
 Raman1 Fr= 1--      16.310                 16.454                 10.742
 ROA1   Fr= 1--     -14.486                -25.278                 51.435
 CID1   Fr= 1--      -0.888                 -1.536                  4.788
 Raman2 Fr= 1--       1.499                  1.661                  3.002
 ROA2   Fr= 1--      -2.853                 -5.097                 11.145
 CID2   Fr= 1--      -1.903                 -3.068                  3.713
 Raman3 Fr= 1--       2.999                  3.323                  6.004
 ROA3   Fr= 1--     -14.486                -25.278                 51.435
 CID3   Fr= 1--      -4.831                 -7.607                  8.567
 RC180  Fr= 1--      -0.632                 -0.596                  0.118
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05   0.00    -0.05  -0.17  -0.02    -0.04  -0.08  -0.11
     2   6    -0.13  -0.03   0.07     0.01  -0.07   0.09     0.16   0.04   0.05
     3   6     0.03  -0.05  -0.06    -0.01  -0.02  -0.04    -0.03   0.02  -0.04
     4   8     0.04   0.06  -0.08     0.03   0.03   0.01    -0.04  -0.07   0.05
     5   8     0.04   0.01   0.00     0.04   0.02  -0.00    -0.03   0.01   0.01
     6   7    -0.05   0.02  -0.01     0.02   0.17  -0.02    -0.04   0.02   0.07
     7   8     0.01  -0.05   0.05    -0.01  -0.01   0.01    -0.00   0.04  -0.00
     8   1    -0.13   0.04   0.09     0.15   0.11   0.16     0.35  -0.12   0.03
     9   1     0.05   0.12   0.06    -0.02   0.33   0.11    -0.07  -0.12  -0.13
    10   1    -0.02  -0.07  -0.16    -0.13  -0.24  -0.55    -0.12  -0.09  -0.07
    11   1     0.24   0.31   0.71    -0.18  -0.18  -0.45     0.07   0.04   0.22
    12   1     0.02   0.33  -0.04    -0.06  -0.01   0.12     0.07   0.05  -0.30
    13   1     0.25   0.12  -0.15    -0.20  -0.01   0.16     0.21   0.61  -0.39
    14   1    -0.00   0.02  -0.01    -0.11   0.09  -0.02     0.07  -0.06   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1000.0291              1063.5726              1122.5534
 Red. masses --      1.8744                 5.4881                 2.7569
 Frc consts  --      1.1044                 3.6577                 2.0469
 IR Inten    --     37.9540               129.7682                27.2200
 RamAct Fr= 1--      1.6532                 4.0517                 2.3638
  Dep-P Fr= 1--      0.2430                 0.4702                 0.6728
  Dep-U Fr= 1--      0.3910                 0.6396                 0.8044
 Alpha2 Fr= 1--      0.0200                 0.0228                 0.0032
 Beta2  Fr= 1--      0.1077                 0.4319                 0.3169
 AlphaG Fr= 1--      0.0004                 0.0096                 0.0030
 Gamma2 Fr= 1--     -0.3660                -0.0616                 0.3536
 Delta2 Fr= 1--     -0.3960                -0.2538                 0.7518
 Raman1 Fr= 1--       6.613                 16.207                  9.455
 ROA1   Fr= 1--     -47.806                -14.039                 57.998
 CID1   Fr= 1--      -7.229                 -0.866                  6.134
 Raman2 Fr= 1--       1.293                  5.183                  3.803
 ROA2   Fr= 1--      -5.616                  0.551                  2.471
 CID2   Fr= 1--      -4.344                  0.106                  0.650
 Raman3 Fr= 1--       2.585                 10.366                  7.606
 ROA3   Fr= 1--     -47.806                -14.039                 57.998
 CID3   Fr= 1--     -18.491                 -1.354                  7.626
 RC180  Fr= 1--      -0.218                  0.279                  0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.13     0.45  -0.14  -0.04    -0.01  -0.13  -0.06
     2   6    -0.02  -0.01   0.17    -0.05  -0.02  -0.02     0.00   0.29   0.02
     3   6    -0.05  -0.06  -0.07     0.03   0.01  -0.05    -0.08  -0.07  -0.00
     4   8     0.04   0.06  -0.02    -0.01  -0.03   0.02     0.01   0.05  -0.02
     5   8    -0.05   0.01   0.02    -0.33   0.11   0.07    -0.00   0.02   0.01
     6   7     0.06   0.03  -0.04    -0.03   0.02   0.00     0.05  -0.15   0.04
     7   8     0.01  -0.01   0.02    -0.01   0.02  -0.00     0.04  -0.04   0.02
     8   1    -0.22  -0.08   0.12     0.02   0.04  -0.00    -0.21   0.54   0.07
     9   1     0.18  -0.39  -0.20     0.41   0.12   0.04    -0.28   0.13  -0.05
    10   1    -0.13   0.05   0.33     0.42  -0.16  -0.22     0.30  -0.09  -0.23
    11   1     0.04   0.04  -0.06    -0.07  -0.07  -0.01     0.09   0.09  -0.06
    12   1    -0.10  -0.41   0.21     0.06   0.34  -0.11     0.01  -0.34   0.07
    13   1    -0.25   0.09   0.03     0.13  -0.17   0.07    -0.02  -0.09   0.01
    14   1     0.41  -0.17   0.08     0.01  -0.04   0.12    -0.31   0.14  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1139.7648              1220.7424              1292.3082
 Red. masses --      1.1438                 2.5959                 1.2424
 Frc consts  --      0.8754                 2.2792                 1.2225
 IR Inten    --     20.6107                13.4988                 8.2541
 RamAct Fr= 1--      3.1943                 6.4546                 5.1734
  Dep-P Fr= 1--      0.1964                 0.5443                 0.3292
  Dep-U Fr= 1--      0.3284                 0.7049                 0.4953
 Alpha2 Fr= 1--      0.0438                 0.0255                 0.0485
 Beta2  Fr= 1--      0.1748                 0.7583                 0.4271
 AlphaG Fr= 1--      0.0052                -0.0283                 0.0823
 Gamma2 Fr= 1--      0.7979                 0.1543                -1.4084
 Delta2 Fr= 1--      0.1366                 0.1943                -0.2393
 Raman1 Fr= 1--      12.777                 25.818                 20.694
 ROA1   Fr= 1--      80.969                 21.032               -142.865
 CID1   Fr= 1--       6.337                  0.815                 -6.904
 Raman2 Fr= 1--       2.098                  9.100                  5.125
 ROA2   Fr= 1--      18.056                  2.149                -31.888
 CID2   Fr= 1--       8.607                  0.236                 -6.222
 Raman3 Fr= 1--       4.196                 18.200                 10.250
 ROA3   Fr= 1--      80.969                 21.032               -142.865
 CID3   Fr= 1--      19.298                  1.156                -13.938
 RC180  Fr= 1--      -0.343                  0.410                 -0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00  -0.02    -0.02  -0.00  -0.05    -0.00   0.02  -0.07
     2   6    -0.01   0.06   0.01    -0.08   0.04   0.11    -0.01  -0.01   0.07
     3   6     0.03   0.02  -0.01     0.22   0.09  -0.16    -0.04  -0.01   0.04
     4   8    -0.01  -0.02   0.01    -0.02  -0.12   0.07     0.00   0.02  -0.01
     5   8    -0.00   0.00  -0.01     0.03  -0.00   0.01     0.01  -0.00   0.01
     6   7    -0.02  -0.05  -0.01     0.01  -0.02  -0.02    -0.02   0.00  -0.05
     7   8    -0.00   0.00  -0.00    -0.05   0.07  -0.01     0.02  -0.03   0.00
     8   1     0.33   0.44   0.18    -0.16   0.04   0.09     0.62  -0.16   0.13
     9   1     0.29  -0.01   0.03    -0.32  -0.11  -0.13    -0.25  -0.16  -0.17
    10   1    -0.32  -0.05  -0.03     0.25   0.06   0.06     0.34   0.11   0.16
    11   1    -0.06  -0.05   0.01    -0.47  -0.38   0.36     0.10   0.08  -0.08
    12   1     0.03   0.25  -0.00    -0.05  -0.04   0.16     0.02   0.30  -0.01
    13   1     0.07  -0.33   0.14    -0.08  -0.13   0.08     0.01  -0.28   0.12
    14   1     0.47  -0.19   0.05    -0.26   0.12  -0.03    -0.25   0.10  -0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1303.6362              1365.4044              1385.9039
 Red. masses --      1.5112                 1.3908                 1.2834
 Frc consts  --      1.5131                 1.5277                 1.4524
 IR Inten    --      1.3487                29.8989                11.0329
 RamAct Fr= 1--      0.9686                 2.5895                 1.1104
  Dep-P Fr= 1--      0.1767                 0.6681                 0.6505
  Dep-U Fr= 1--      0.3003                 0.8010                 0.7882
 Alpha2 Fr= 1--      0.0140                 0.0038                 0.0020
 Beta2  Fr= 1--      0.0485                 0.3457                 0.1459
 AlphaG Fr= 1--     -0.0223                -0.0126                 0.0114
 Gamma2 Fr= 1--      0.6320                -0.4190                -1.0160
 Delta2 Fr= 1--      0.0629                -0.7611                -0.4188
 Raman1 Fr= 1--       3.874                 10.358                  4.442
 ROA1   Fr= 1--      62.683                -64.577               -110.939
 CID1   Fr= 1--      16.178                 -6.234                -24.977
 Raman2 Fr= 1--       0.582                  4.148                  1.751
 ROA2   Fr= 1--      14.664                 -3.967                -21.034
 CID2   Fr= 1--      25.208                 -0.956                -12.016
 Raman3 Fr= 1--       1.163                  8.297                  3.501
 ROA3   Fr= 1--      62.683                -64.577               -110.939
 CID3   Fr= 1--      53.876                 -7.783                -31.687
 RC180  Fr= 1--      -0.399                  0.602                  0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04   0.02    -0.00   0.04  -0.04    -0.09  -0.05   0.04
     2   6    -0.17   0.02  -0.07     0.02  -0.15  -0.04     0.07  -0.03   0.02
     3   6     0.03   0.02   0.04    -0.03  -0.01   0.02     0.00   0.00  -0.01
     4   8     0.00  -0.01  -0.01     0.02   0.00  -0.01    -0.01  -0.00   0.01
     5   8    -0.00   0.03  -0.01     0.00  -0.01   0.02    -0.02   0.05  -0.04
     6   7     0.06   0.00   0.03    -0.01   0.02   0.04    -0.02   0.01  -0.01
     7   8     0.00  -0.01  -0.01    -0.01   0.02  -0.01    -0.00  -0.00   0.00
     8   1     0.60  -0.10   0.01    -0.02   0.83   0.25    -0.24  -0.00  -0.01
     9   1     0.14   0.11   0.08     0.05  -0.12  -0.08    -0.18   0.15   0.09
    10   1     0.31   0.02   0.01     0.25   0.10   0.11     0.71   0.08   0.11
    11   1    -0.08  -0.06   0.09    -0.08  -0.05   0.06     0.06   0.05  -0.05
    12   1    -0.04  -0.43   0.10    -0.00  -0.09  -0.03     0.01   0.12  -0.02
    13   1    -0.13   0.36  -0.15     0.03   0.18  -0.08     0.02  -0.08   0.03
    14   1     0.22  -0.09   0.01    -0.20   0.08  -0.01     0.51  -0.21   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1410.4825              1416.2810              1504.1457
 Red. masses --      1.4320                 1.3088                 1.0836
 Frc consts  --      1.6785                 1.5468                 1.4444
 IR Inten    --    329.5136                72.9026                 3.4238
 RamAct Fr= 1--      3.2835                 2.4323                 4.1316
  Dep-P Fr= 1--      0.5556                 0.1657                 0.7294
  Dep-U Fr= 1--      0.7143                 0.2843                 0.8435
 Alpha2 Fr= 1--      0.0122                 0.0361                 0.0015
 Beta2  Fr= 1--      0.3909                 0.1153                 0.5808
 AlphaG Fr= 1--      0.0187                -0.0336                 0.0015
 Gamma2 Fr= 1--     -0.5060                 0.8430                 0.0627
 Delta2 Fr= 1--     -0.2663                 0.3491                -0.1116
 Raman1 Fr= 1--      13.134                  9.729                 16.526
 ROA1   Fr= 1--     -57.100                 92.103                  2.451
 CID1   Fr= 1--      -4.348                  9.467                  0.148
 Raman2 Fr= 1--       4.691                  1.383                  6.970
 ROA2   Fr= 1--     -10.014                 17.440                  2.398
 CID2   Fr= 1--      -2.135                 12.608                  0.344
 Raman3 Fr= 1--       9.381                  2.766                 13.940
 ROA3   Fr= 1--     -57.100                 92.103                  2.451
 CID3   Fr= 1--      -6.087                 33.293                  0.176
 RC180  Fr= 1--       0.429                 -0.431                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.03    -0.08  -0.02  -0.07     0.04  -0.04  -0.05
     2   6    -0.06  -0.04   0.01     0.01   0.01   0.00    -0.01  -0.01  -0.00
     3   6     0.09   0.05  -0.06     0.06   0.04  -0.05    -0.00   0.00  -0.00
     4   8    -0.08  -0.01   0.04    -0.05  -0.01   0.03     0.00   0.00   0.00
     5   8     0.00   0.00  -0.02     0.01  -0.01   0.04     0.01  -0.00  -0.01
     6   7     0.02  -0.01   0.01     0.00  -0.01  -0.00     0.00   0.00   0.00
     7   8    -0.00  -0.04   0.02    -0.00  -0.03   0.01     0.00   0.00  -0.00
     8   1     0.03   0.20   0.09    -0.09  -0.05  -0.03     0.03   0.06   0.02
     9   1    -0.45  -0.15  -0.10     0.73   0.17   0.12    -0.28   0.64   0.09
    10   1    -0.14  -0.04  -0.13     0.19   0.07   0.21    -0.25  -0.00   0.66
    11   1     0.53   0.40  -0.40     0.30   0.22  -0.25    -0.00  -0.00  -0.01
    12   1     0.01  -0.05   0.00     0.01   0.03   0.00     0.00   0.01  -0.00
    13   1    -0.03   0.13  -0.06    -0.02   0.00  -0.00    -0.01   0.02  -0.00
    14   1     0.12  -0.06  -0.01    -0.30   0.13   0.01     0.01  -0.01  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1664.9378              1838.8079              3017.3318
 Red. masses --      1.0873                 9.5554                 1.0839
 Frc consts  --      1.7758                19.0359                 5.8140
 IR Inten    --     38.6148               320.2678                20.2737
 RamAct Fr= 1--      3.5278                14.3884               111.6030
  Dep-P Fr= 1--      0.5893                 0.2902                 0.2001
  Dep-U Fr= 1--      0.7416                 0.4499                 0.3335
 Alpha2 Fr= 1--      0.0106                 0.1519                 1.5152
 Beta2  Fr= 1--      0.4360                 1.0789                 6.2030
 AlphaG Fr= 1--     -0.0130                -0.0634                -0.1119
 Gamma2 Fr= 1--     -0.6785                -0.0932                 3.9695
 Delta2 Fr= 1--     -0.2697                 0.0600                 4.1839
 Raman1 Fr= 1--      14.111                 57.554                446.412
 ROA1   Fr= 1--     -73.764                 -7.026                514.953
 CID1   Fr= 1--      -5.227                 -0.122                  1.154
 Raman2 Fr= 1--       5.232                 12.946                 74.435
 ROA2   Fr= 1--     -14.125                 -2.716                 61.797
 CID2   Fr= 1--      -2.700                 -0.210                  0.830
 Raman3 Fr= 1--      10.464                 25.893                148.871
 ROA3   Fr= 1--     -73.764                 -7.026                514.953
 CID3   Fr= 1--      -7.049                 -0.271                  3.459
 RC180  Fr= 1--       0.483                 -0.100                 -0.333
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.01
     2   6    -0.02  -0.00   0.02     0.03  -0.04  -0.00     0.01   0.02  -0.08
     3   6     0.01   0.01  -0.01    -0.31   0.62  -0.16    -0.00   0.00  -0.00
     4   8    -0.00  -0.00   0.00     0.05  -0.05   0.00    -0.00   0.00   0.00
     5   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   7    -0.03   0.07   0.01     0.00  -0.01   0.00     0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.19  -0.38   0.10     0.00  -0.00   0.00
     8   1     0.02  -0.03   0.02    -0.13   0.08  -0.02    -0.14  -0.28   0.93
     9   1    -0.00   0.01  -0.00    -0.02  -0.01   0.00     0.02   0.04  -0.13
    10   1     0.01   0.01   0.02    -0.06   0.01  -0.02    -0.01   0.02  -0.00
    11   1     0.03   0.02  -0.00    -0.38  -0.22   0.26     0.00  -0.01   0.00
    12   1    -0.01  -0.56  -0.45    -0.00  -0.01   0.04     0.00   0.00   0.00
    13   1     0.57  -0.37   0.10    -0.01   0.02  -0.01    -0.01  -0.00  -0.01
    14   1     0.00  -0.01  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3051.3121              3100.6237              3443.7340
 Red. masses --      1.0571                 1.1098                 1.0640
 Frc consts  --      5.7989                 6.2865                 7.4347
 IR Inten    --     19.8589                16.5230               247.8112
 RamAct Fr= 1--     87.6946                37.5864                76.4327
  Dep-P Fr= 1--      0.0540                 0.7496                 0.0842
  Dep-U Fr= 1--      0.1024                 0.8569                 0.1552
 Alpha2 Fr= 1--      1.7159                 0.0003                 1.3909
 Beta2  Fr= 1--      1.4968                 5.3678                 1.9776
 AlphaG Fr= 1--     -0.1811                -0.0033                 0.0244
 Gamma2 Fr= 1--      0.0861                -3.7320                -2.1309
 Delta2 Fr= 1--      1.3380                -2.9673                -2.0931
 Raman1 Fr= 1--     350.779                150.345                305.731
 ROA1   Fr= 1--      51.080               -453.222               -271.548
 CID1   Fr= 1--       0.146                 -3.015                 -0.888
 Raman2 Fr= 1--      17.962                 64.413                 23.731
 ROA2   Fr= 1--      -8.638                -65.829                -34.397
 CID2   Fr= 1--      -0.481                 -1.022                 -1.449
 Raman3 Fr= 1--      35.924                128.826                 47.461
 ROA3   Fr= 1--      51.080               -453.222               -271.548
 CID3   Fr= 1--       1.422                 -3.518                 -5.721
 RC180  Fr= 1--      -0.795                  0.714                 -0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.05     0.00   0.07  -0.06    -0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.00
     4   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.04  -0.05   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01  -0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.01  -0.02   0.07    -0.01  -0.03   0.11     0.00  -0.01   0.01
     9   1    -0.11  -0.18   0.63    -0.11  -0.18   0.70    -0.00   0.00   0.00
    10   1    -0.12   0.72  -0.09     0.11  -0.66   0.07    -0.00  -0.00  -0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.58   0.79  -0.11
    12   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.13   0.02  -0.03
    13   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.04   0.07
    14   1     0.00   0.00  -0.01    -0.01   0.01  -0.02     0.00   0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3497.5871              3570.1918              3795.9027
 Red. masses --      1.0501                 1.0935                 1.0663
 Frc consts  --      7.5686                 8.2123                 9.0522
 IR Inten    --      2.8299                19.2573                35.8904
 RamAct Fr= 1--     95.5997                44.5850                78.5863
  Dep-P Fr= 1--      0.0844                 0.6934                 0.1800
  Dep-U Fr= 1--      0.1556                 0.8189                 0.3051
 Alpha2 Fr= 1--      1.7387                 0.0442                 1.1247
 Beta2  Fr= 1--      2.4794                 6.0854                 3.9963
 AlphaG Fr= 1--     -0.2746                 0.0642                 0.4541
 Gamma2 Fr= 1--      4.3250                -7.7359                 2.4698
 Delta2 Fr= 1--      3.9607                -1.1221                 0.7053
 Raman1 Fr= 1--     382.399                178.340                314.345
 ROA1   Fr= 1--     541.938               -778.554                259.672
 CID1   Fr= 1--       1.417                 -4.366                  0.826
 Raman2 Fr= 1--      29.753                 73.025                 47.955
 ROA2   Fr= 1--      72.114               -176.685                 53.634
 CID2   Fr= 1--       2.424                 -2.420                  1.118
 Raman3 Fr= 1--      59.506                146.050                 95.911
 ROA3   Fr= 1--     541.938               -778.554                259.672
 CID3   Fr= 1--       9.107                 -5.331                  2.707
 RC180  Fr= 1--      -0.689                  0.638                 -0.390
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   8     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.03  -0.05
     6   7    -0.04   0.03   0.02    -0.05  -0.02  -0.06    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.00  -0.01    -0.00  -0.00   0.01     0.00   0.00  -0.00
     9   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.01
    10   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.09   0.12  -0.01    -0.01   0.02  -0.00     0.00   0.00  -0.00
    12   1     0.73  -0.13   0.21     0.59  -0.11   0.14     0.00   0.00   0.00
    13   1    -0.16  -0.32  -0.50     0.17   0.41   0.65     0.00   0.00   0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.29  -0.43   0.85

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   400.92143 988.456541232.67619
           X            0.99980   0.01890  -0.00715
           Y           -0.01871   0.99950   0.02538
           Z            0.00762  -0.02525   0.99965
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21604     0.08763     0.07026
 Rotational constants (GHZ):           4.50148     1.82582     1.46408
 Zero-point vibrational energy     298478.3 (Joules/Mol)
                                   71.33803 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    119.11   186.11   276.71   449.65   461.50
          (Kelvin)            490.99   523.79   625.90   816.02   953.07
                             1050.05  1231.11  1249.23  1278.38  1361.81
                             1438.82  1530.24  1615.10  1639.87  1756.38
                             1859.34  1875.64  1964.51  1994.01  2029.37
                             2037.71  2164.13  2395.47  2645.63  4341.27
                             4390.16  4461.11  4954.77  5032.25  5136.71
                             5461.46
 
 Zero-point correction=                           0.113684 (Hartree/Particle)
 Thermal correction to Energy=                    0.121153
 Thermal correction to Enthalpy=                  0.122097
 Thermal correction to Gibbs Free Energy=         0.081937
 Sum of electronic and zero-point Energies=           -399.040194
 Sum of electronic and thermal Energies=              -399.032725
 Sum of electronic and thermal Enthalpies=            -399.031781
 Sum of electronic and thermal Free Energies=         -399.071941
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   76.025             26.614             84.526
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.682
 Vibrational             74.247             20.653             16.979
 Vibration     1          0.600              1.961              3.824
 Vibration     2          0.612              1.924              2.956
 Vibration     3          0.634              1.851              2.205
 Vibration     4          0.701              1.650              1.349
 Vibration     5          0.706              1.634              1.306
 Vibration     6          0.721              1.593              1.206
 Vibration     7          0.738              1.546              1.105
 Vibration     8          0.796              1.394              0.842
 Vibration     9          0.923              1.102              0.510
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.205045D-37        -37.688150        -86.780173
 Total V=0       0.400859D+15         14.602991         33.624630
 Vib (Bot)       0.193673D-50        -50.712931       -116.770839
 Vib (Bot)    1  0.248665D+01          0.395615          0.910936
 Vib (Bot)    2  0.157632D+01          0.197645          0.455093
 Vib (Bot)    3  0.103975D+01          0.016929          0.038980
 Vib (Bot)    4  0.604172D+00         -0.218840         -0.503897
 Vib (Bot)    5  0.585789D+00         -0.232259         -0.534796
 Vib (Bot)    6  0.543689D+00         -0.264650         -0.609379
 Vib (Bot)    7  0.502110D+00         -0.299201         -0.688936
 Vib (Bot)    8  0.398951D+00         -0.399080         -0.918916
 Vib (Bot)    9  0.272118D+00         -0.565242         -1.301519
 Vib (V=0)       0.378626D+02          1.578211          3.633964
 Vib (V=0)    1  0.303642D+01          0.482362          1.110679
 Vib (V=0)    2  0.215372D+01          0.333189          0.767196
 Vib (V=0)    3  0.165372D+01          0.218463          0.503030
 Vib (V=0)    4  0.128423D+01          0.108644          0.250163
 Vib (V=0)    5  0.127016D+01          0.103859          0.239144
 Vib (V=0)    6  0.123865D+01          0.092947          0.214019
 Vib (V=0)    7  0.120860D+01          0.082283          0.189463
 Vib (V=0)    8  0.113966D+01          0.056774          0.130728
 Vib (V=0)    9  0.106925D+01          0.029080          0.066960
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.250195D+06          5.398279         12.429996
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3       3 3 3           33 3                                      1     1    1 111111  1 11 1 1                                 
     7       5 4 4           10 0                                      8     6    5 443332  2 11 0 0 9888   7 6   5   43333   1 1    
     9       7 9 4           05 1                                      3     6    0 118609  2 42 6 0 4865   3 6   6   36421   9 2 8  
     6       0 8 4           11 7                                      9     5    4 606542  1 03 4 0 7986   0 2   7   54113   2 9 3  
 
     X       X X X           XX X                                      X     X    X XXXXXX  X XX X X XXXX   X X   X   XXXXX   X X X  
     X           X                                                     X     X      XX X       X X X XXXX             XX X           
                 X                                                     X            XX           X   XX X              X X           
                 X                                                     X            XX           X    X X                            
                 X                                                     X             X           X                                   
                 X                                                     X             X           X                                   
                 X                                                     X             X           X                                   
                 X                                                     X             X           X                                   
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                                     X                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001856   -0.000003788    0.000005794
      2        6          -0.000016038   -0.000006050   -0.000010356
      3        6           0.000010476    0.000014807   -0.000019407
      4        8          -0.000016047   -0.000015316    0.000014693
      5        8           0.000014336    0.000008169   -0.000001392
      6        7           0.000028371    0.000021460    0.000019170
      7        8          -0.000001014   -0.000005271    0.000004152
      8        1           0.000007017    0.000002350    0.000007498
      9        1          -0.000007104   -0.000007777   -0.000004558
     10        1          -0.000004017   -0.000004428   -0.000000720
     11        1          -0.000000538    0.000007429    0.000000216
     12        1          -0.000004693   -0.000004192   -0.000006430
     13        1          -0.000008458    0.000001577   -0.000002304
     14        1          -0.000000436   -0.000008972   -0.000006356
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028371 RMS     0.000010276
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.656368D+02 -0.186029D+01 -0.217848D+01
      2  -0.186029D+01  0.627173D+02 -0.270595D+01
      3  -0.217848D+01 -0.270595D+01  0.514164D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.270521D+01  0.855735D+00 -0.113553D+01
      2  -0.219275D+01 -0.572246D+01 -0.104187D+02
      3   0.670528D+01 -0.227846D+01  0.367751D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.306373D+02 -0.137257D+02 -0.821485D+01
      2   0.194100D+02  0.107808D+02  0.356542D+01
      3   0.112273D+02  0.294495D+01  0.464944D+01
      4  -0.106080D+02  0.736156D+01 -0.153068D+02
      5  -0.397919D+00 -0.162081D+02 -0.170213D+02
      6  -0.699060D+01  0.101857D+02  0.583426D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.134690D+01 -0.123503D+01 -0.891637D+00 -0.359943D+01 -0.199568D+01
      2  -0.123503D+01 -0.267209D+01 -0.578329D+00 -0.199568D+01  0.500096D+01
      3  -0.891637D+00 -0.578329D+00 -0.240807D+01 -0.664888D+00 -0.264303D+00
                 6             7             8             9            10 
      1  -0.664888D+00 -0.316588D+01 -0.496700D+00 -0.183691D+01  0.597465D+00
      2  -0.264303D+00 -0.496700D+00 -0.122287D+01 -0.143990D+01  0.175644D+01
      3  -0.198560D+01 -0.183691D+01 -0.143990D+01  0.569350D+01  0.194352D+01
                11            12            13            14            15 
      1   0.175644D+01  0.194352D+01  0.281414D+01  0.141585D+01  0.422972D+00
      2   0.174837D+01  0.184864D+00  0.141585D+01 -0.262875D+01 -0.637262D+00
      3   0.184864D+00  0.125770D+01  0.422972D+00 -0.637262D+00  0.242900D+01
                16            17            18            19            20 
      1   0.296029D+01 -0.151526D+00  0.172181D+01  0.107614D+01 -0.348344D-01
      2  -0.151526D+00 -0.175845D+00  0.341034D+01 -0.348344D-01 -0.198539D+01
      3   0.172181D+01  0.341034D+01 -0.569119D+01 -0.123879D+01  0.129825D+01
                21            22            23            24            25 
      1  -0.123879D+01  0.234068D+01 -0.304222D+01  0.151384D+01  0.243076D+00
      2   0.129825D+01 -0.304222D+01  0.455757D+01 -0.597239D+00  0.190962D+01
      3   0.105839D+00  0.151384D+01 -0.597239D+00  0.110574D+00 -0.274743D+00
                26            27            28            29            30 
      1   0.190962D+01 -0.274743D+00  0.630316D+01  0.930536D+00 -0.212248D+01
      2  -0.650683D+00 -0.504925D+00  0.930536D+00  0.300441D+01 -0.559719D+00
      3  -0.504925D+00  0.608519D+00 -0.212248D+01 -0.559719D+00  0.141642D+01
                31            32            33            34            35 
      1  -0.147729D+01  0.360056D+01  0.381275D+00 -0.188607D+01 -0.955002D+00
      2   0.360056D+01  0.179258D+00 -0.661691D+00 -0.955002D+00 -0.371895D+00
      3   0.381275D+00 -0.661691D+00  0.191667D+00  0.152769D+01  0.131608D+01
                36            37            38            39            40 
      1   0.152769D+01 -0.724909D+01  0.408876D+00 -0.163414D+01  0.244596D+01
      2   0.131608D+01  0.408876D+00 -0.924193D-01 -0.446625D+00 -0.646058D+00
      3  -0.275117D+01 -0.163414D+01 -0.446625D+00  0.112141D+01 -0.726336D+00
                41            42            43            44            45 
      1  -0.646058D+00 -0.726336D+00 -0.294530D+01 -0.750559D+00  0.586745D+00
      2   0.767916D+00 -0.679960D+00 -0.750559D+00 -0.120197D+01  0.136762D+01
      3  -0.679960D+00  0.193581D+01  0.586745D+00  0.136762D+01 -0.395981D+01
                46            47            48            49            50 
      1   0.414512D+01 -0.663636D+00 -0.131152D-01 -0.402015D+00 -0.381097D+00
      2  -0.663636D+00  0.255677D+00  0.317916D-01 -0.381097D+00  0.322231D+01
      3  -0.131152D-01  0.317916D-01 -0.119123D+01 -0.448794D+00 -0.132801D+01
                51            52            53            54            55 
      1  -0.448794D+00  0.197422D-01 -0.388380D+00 -0.116392D+01  0.493388D+01
      2  -0.132801D+01 -0.388380D+00 -0.309695D+01 -0.212401D+01 -0.388299D+01
      3  -0.189594D+01 -0.116392D+01 -0.212401D+01 -0.210272D+01  0.148635D+01
                56            57            58            59            60 
      1  -0.388299D+01  0.148635D+01 -0.544809D+01  0.376201D+01 -0.783367D+00
      2   0.333555D+01 -0.102334D+01  0.376201D+01 -0.106397D+02  0.158229D+01
      3  -0.102334D+01  0.106457D+01 -0.783367D+00  0.158229D+01 -0.235676D+01
                61            62            63            64            65 
      1   0.123758D+01 -0.763923D+00  0.196028D+01 -0.573053D+00 -0.698683D+00
      2  -0.763923D+00  0.119144D+01 -0.279114D+01 -0.698683D+00 -0.603589D+00
      3   0.196028D+01 -0.279114D+01  0.212105D+01  0.105128D+01  0.863915D-01
                66            67            68            69            70 
      1   0.105128D+01 -0.123330D+01 -0.600205D+00  0.194381D+00  0.124147D+01
      2   0.863915D-01 -0.600205D+00 -0.119989D+01  0.162140D+01  0.200591D+00
      3  -0.112401D+01  0.194381D+00  0.162140D+01 -0.200286D+01 -0.880523D+00
                71            72            73            74            75 
      1   0.200591D+00 -0.880523D+00  0.108620D-01  0.353932D+00 -0.875246D+00
      2   0.236073D+01 -0.205171D+01  0.353932D+00  0.319282D+00  0.112511D+00
      3  -0.205171D+01  0.775840D+01 -0.875246D+00  0.112511D+00  0.103895D+01
                76            77            78            79            80 
      1   0.122395D+01  0.368310D+00  0.969346D-01 -0.145838D+01 -0.106320D+00
      2   0.368310D+00  0.162594D+00 -0.945861D+00 -0.106320D+00 -0.123565D+01
      3   0.969346D-01 -0.945861D+00  0.167415D+01  0.161085D+00  0.167717D+00
                81            82            83            84            85 
      1   0.161085D+00  0.635350D+00 -0.963958D+00  0.119458D+00 -0.147059D+01
      2   0.167717D+00 -0.963958D+00  0.993306D+00  0.229474D+00  0.521854D+00
      3  -0.779526D+01  0.119458D+00  0.229474D+00  0.424916D+00  0.484276D-01
                86            87            88            89            90 
      1   0.521854D+00  0.484276D-01  0.853725D+00  0.996155D-01  0.290244D+00
      2  -0.796839D+01 -0.599882D+00  0.996155D-01  0.564084D+00 -0.840418D+00
      3  -0.599882D+00 -0.967850D+00  0.290244D+00 -0.840418D+00 -0.402565D+00
                91            92            93            94            95 
      1  -0.282037D+01  0.175061D+01  0.100361D+01  0.358415D+01 -0.582565D+00
      2   0.175061D+01 -0.123835D+01 -0.483124D-01 -0.582565D+00  0.411818D+01
      3   0.100361D+01 -0.483124D-01 -0.364043D+00 -0.102205D+01 -0.899663D+00
                96            97            98            99           100 
      1  -0.102205D+01  0.139207D+00 -0.155025D+00  0.207790D+00 -0.624558D+01
      2  -0.899663D+00 -0.155025D+00 -0.925713D+00  0.868749D+00  0.218900D+01
      3   0.145905D+01  0.207790D+00  0.868749D+00 -0.139740D+01 -0.677231D+00
               101           102           103           104           105 
      1   0.218900D+01 -0.677231D+00  0.203377D+01 -0.148296D+01 -0.967074D-01
      2  -0.316432D+01 -0.985457D-01 -0.148296D+01  0.142453D+01  0.319171D-01
      3  -0.985457D-01 -0.108099D+01 -0.967074D-01  0.319171D-01  0.496474D+00
               106           107           108           109           110 
      1  -0.161642D+01  0.238877D+00 -0.294711D+00  0.468632D+00  0.708988D+00
      2   0.238877D+00 -0.544412D+00  0.519555D+00  0.708988D+00  0.890833D+00
      3  -0.294711D+00  0.519555D+00 -0.353847D+00  0.471526D+00  0.403197D+00
               111           112           113           114           115 
      1   0.471526D+00  0.745474D+00  0.171603D+00  0.759008D-01  0.829258D+00
      2   0.403197D+00  0.171603D+00  0.406756D+01  0.233720D+01  0.336154D+00
      3   0.137255D+01  0.759008D-01  0.233720D+01  0.276172D+01  0.635426D+00
               116           117           118           119           120 
      1   0.336154D+00  0.635426D+00 -0.262941D+01 -0.619268D+00  0.137691D+01
      2   0.378288D+01  0.344279D+01 -0.619268D+00 -0.791254D+00  0.408394D+00
      3   0.344279D+01  0.388672D+01  0.137691D+01  0.408394D+00 -0.163400D+01
               121           122           123           124           125 
      1  -0.155743D+01 -0.110940D+01  0.100841D+01  0.354771D+01  0.982578D+00
      2  -0.110940D+01 -0.106415D+01  0.104107D+01  0.982578D+00  0.152685D+01
      3   0.100841D+01  0.104107D+01 -0.184942D+01 -0.264026D+01 -0.134073D+01
               126 
      1  -0.264026D+01
      2  -0.134073D+01
      3   0.438577D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.649150D+00  0.107223D+01 -0.105061D+01 -0.980835D+00 -0.566543D+01
      2   0.108962D+01  0.374640D-01  0.150540D+01  0.121678D+01 -0.784594D+00
      3  -0.269901D+01  0.117831D+01  0.599783D+00  0.451569D+01  0.735127D+01
                 6             7             8             9            10 
      1  -0.376349D+01 -0.913194D+00  0.120996D+01  0.573098D+01  0.654345D+00
      2   0.148846D+01 -0.217754D+01  0.374586D+00 -0.683573D+01  0.667810D+01
      3   0.842952D+00  0.125282D+01 -0.297539D+00 -0.147178D+00 -0.780355D+00
                11            12            13            14            15 
      1   0.308736D+00 -0.256598D+00 -0.260660D+01 -0.134321D+01  0.175495D+01
      2   0.479093D+00  0.313751D+01 -0.167624D+01 -0.313075D+00 -0.546699D+00
      3  -0.616241D+01 -0.146669D+01 -0.339128D+00 -0.223380D+01  0.215804D+01
                16            17            18            19            20 
      1   0.536831D+00  0.360218D+01  0.277965D+00  0.176808D+01  0.154003D+01
      2  -0.521268D+01  0.225169D+00  0.140781D+01 -0.955847D+01 -0.804057D+00
      3  -0.687786D+00 -0.938875D-01 -0.595206D-01  0.653554D+01  0.195143D+01
                21            22            23            24            25 
      1  -0.299464D+01  0.237432D+01  0.630373D+01  0.481543D+01  0.529024D+00
      2  -0.382658D+01 -0.372765D+01 -0.568641D+00  0.377432D+01 -0.139897D+02
      3   0.136806D+00  0.533019D+01 -0.101505D+02 -0.201056D+01  0.284829D+01
                26            27            28            29            30 
      1   0.638389D+01 -0.675295D+01  0.243467D+01 -0.471320D+01 -0.248196D+01
      2   0.135710D+01  0.508723D+01  0.382369D+01 -0.297826D+01  0.618821D+01
      3  -0.198654D+01 -0.104110D+01  0.704509D+01 -0.133383D+02 -0.299949D+00
                31            32            33            34            35 
      1  -0.459701D+01  0.171717D+01 -0.248904D+01 -0.120092D+01  0.288648D+01
      2  -0.115717D+01  0.107902D+01  0.238804D+00  0.295907D+01  0.148380D+01
      3  -0.913067D+01  0.490849D+01  0.286741D+01 -0.167225D+01  0.146356D+01
                36            37            38            39            40 
      1   0.216161D+01 -0.555782D+00  0.972816D-01 -0.209305D+00  0.156807D+01
      2  -0.610658D+01  0.162355D+01  0.215902D+01  0.269398D+01  0.202922D+01
      3  -0.156159D+01  0.692992D+01 -0.762739D+01 -0.196690D+01  0.132179D+01
                41            42            43            44            45 
      1   0.556542D+00 -0.196832D+01 -0.107956D+01  0.171873D+01 -0.221810D+01
      2   0.173675D+01 -0.530159D+01 -0.731787D+01 -0.395238D+01  0.119693D+02
      3   0.454191D+01 -0.225085D+01 -0.185294D+01 -0.354162D+01  0.414956D+01
                46            47            48            49            50 
      1  -0.151775D+01  0.405424D+00  0.209775D+01  0.117390D+01  0.664160D+01
      2  -0.425913D+00 -0.241203D+00  0.324796D+01  0.482982D-01  0.597895D+00
      3   0.115434D+02 -0.690795D+01  0.111562D+01  0.364032D+01  0.891309D+00
                51            52            53            54            55 
      1  -0.179446D+01  0.149421D+01  0.910643D+01  0.562484D+01 -0.756605D+00
      2   0.747640D+00 -0.322405D+01  0.685480D+00  0.103973D+00  0.139469D+01
      3  -0.134514D+01  0.153524D+01 -0.809796D+00 -0.277904D+01 -0.120497D+01
                56            57            58            59            60 
      1   0.104352D+01  0.435217D+01  0.851529D-01 -0.287437D+01 -0.895072D+01
      2  -0.454221D+00  0.616008D+01  0.390417D+01  0.182947D+01 -0.578143D+01
      3  -0.740135D+01  0.121203D+01  0.477140D+01  0.164916D+02 -0.148926D+01
                61            62            63            64            65 
      1  -0.167190D+00  0.201555D+01  0.238294D+01  0.403081D-02 -0.640215D+00
      2   0.210533D+01 -0.419493D+01  0.186373D+01 -0.192938D-01  0.384146D-01
      3  -0.904514D+00 -0.103841D+01  0.442670D+01 -0.632969D+00 -0.477357D+00
                66            67            68            69            70 
      1  -0.206635D+00  0.249203D+00 -0.112214D+01 -0.645249D+00 -0.324677D+00
      2   0.862964D+00  0.813027D+00  0.166134D+00  0.650894D+00 -0.295220D+01
      3   0.357596D+00  0.206277D+01 -0.817744D-01 -0.150131D+00 -0.970420D+00
                71            72            73            74            75 
      1   0.369436D+01  0.114224D+01 -0.137044D+01 -0.637534D+00  0.451493D+00
      2   0.350718D+00 -0.108244D+01  0.170655D+01  0.227914D+00 -0.723296D+00
      3   0.903803D+00  0.197930D-01  0.201129D+00 -0.847334D+00  0.604260D+00
                76            77            78            79            80 
      1  -0.391234D+00 -0.112179D+01  0.107261D+01  0.256541D+00  0.365646D+01
      2   0.102261D+01  0.141191D+01 -0.178573D+01 -0.414340D+01 -0.474692D+00
      3   0.314804D+00 -0.443675D-02 -0.111552D+01  0.664478D+00 -0.974870D+00
                81            82            83            84            85 
      1  -0.623551D+01  0.128611D+01 -0.321243D+00  0.595596D+00 -0.301910D+00
      2   0.849853D+01  0.337185D+00 -0.521538D+00  0.446288D+00 -0.938539D+00
      3   0.188595D-02 -0.305936D+01  0.137601D+01 -0.283957D+00  0.548475D+01
                86            87            88            89            90 
      1   0.430628D+01 -0.331397D+01  0.380505D+00 -0.332483D+00  0.166535D+00
      2   0.138558D+01  0.751842D+00 -0.927169D+00  0.756805D+00  0.552484D+00
      3  -0.844274D+01 -0.659290D+00 -0.110730D+01  0.306556D+00 -0.110417D+01
                91            92            93            94            95 
      1  -0.384869D+01  0.396172D+01  0.353947D+00  0.439346D+01 -0.321920D+01
      2  -0.378570D+01  0.275926D+01 -0.158874D+01  0.191613D+01 -0.324439D+01
      3  -0.905448D+01  0.877912D+01  0.147246D+01  0.107582D+02 -0.113270D+02
                96            97            98            99           100 
      1  -0.215380D+01  0.172353D-01  0.649330D+00  0.122307D+01  0.246789D+01
      2   0.202614D+01 -0.187150D+01  0.185824D+01 -0.192735D+00  0.754233D+00
      3  -0.604606D+00  0.895655D+00  0.554103D-01 -0.901119D+00 -0.137465D+02
               101           102           103           104           105 
      1  -0.967877D+00  0.274332D+01 -0.523510D-01  0.823313D+00 -0.969161D+00
      2  -0.381506D+00  0.218400D+01 -0.185487D-01  0.391928D+00 -0.852971D+00
      3  -0.204439D+00 -0.157815D+01  0.256703D+01 -0.189600D+01 -0.578414D+00
               106           107           108           109           110 
      1   0.423884D+00 -0.310389D+00  0.896278D+00 -0.272235D+00 -0.993833D+00
      2  -0.476422D+00 -0.524762D+00  0.341050D+00 -0.414137D+00 -0.129422D+00
      3  -0.367784D+01  0.694419D-01  0.162644D+00  0.948683D+00  0.729229D+00
               111           112           113           114           115 
      1  -0.290190D+01  0.714604D-01 -0.336147D+01 -0.600483D+01 -0.980484D+00
      2  -0.190014D+00 -0.643067D+00 -0.743546D+00 -0.850633D+00 -0.199973D+01
      3   0.350516D+00  0.277713D+01  0.117511D+01  0.591812D+00  0.212949D+01
               116           117           118           119           120 
      1  -0.428565D+01 -0.760375D+01  0.355538D+00 -0.155040D+00 -0.492632D+00
      2  -0.969493D+00 -0.808642D+00 -0.429279D+01 -0.154384D+01  0.561106D+01
      3   0.145865D+01  0.222560D+01 -0.109510D+01 -0.240876D+01  0.109833D+01
               121           122           123           124           125 
      1   0.103065D+00 -0.288140D+00 -0.129880D+01  0.967666D-01  0.136631D+01
      2  -0.278901D+01 -0.294445D+01  0.544095D+01  0.640690D+01  0.395377D+01
      3  -0.125326D+01 -0.215288D+01  0.265517D+01  0.154707D+01  0.448524D+01
               126 
      1   0.185211D+01
      2  -0.137096D+02
      3  -0.339245D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.218812D+02 -0.216385D+01 -0.212864D+01  0.450695D+01  0.149746D+02
      2   0.103653D+02  0.414381D+01 -0.114153D+01 -0.434793D+00 -0.201480D+02
      3   0.115159D+02 -0.197996D+01  0.327017D+01 -0.407216D+01  0.517334D+01
      4   0.126634D+00 -0.103004D+01  0.124149D+01  0.834076D+01 -0.592898D+01
      5  -0.128662D+01  0.444102D+00 -0.208489D+01  0.161453D+01  0.100382D+01
      6   0.277835D+01  0.233028D+01  0.226692D+01  0.158436D+01 -0.250647D+00
                 6             7             8             9            10 
      1  -0.409000D+00  0.408957D+01 -0.788221D+00  0.126826D+02 -0.324403D+01
      2  -0.241327D+01 -0.251839D+01 -0.857080D+00  0.348688D+01  0.365230D+01
      3   0.282227D+01 -0.157119D+01  0.164530D+01 -0.161695D+02 -0.408275D+00
      4   0.771851D+00  0.463849D+01  0.293586D+01  0.561840D+01 -0.406233D+01
      5   0.324176D+01  0.550451D+01  0.248532D+01 -0.105355D+02  0.856424D+00
      6   0.279302D+01  0.270048D+01  0.165272D+01 -0.177725D+01 -0.161307D+01
                11            12            13            14            15 
      1  -0.197920D+01 -0.140440D+00  0.675499D+00  0.615528D+01 -0.494256D+01
      2   0.386961D+01 -0.137196D+01  0.130184D+01 -0.573557D+01 -0.280661D+01
      3  -0.189041D+01  0.151240D+01 -0.197734D+01 -0.419709D+00  0.774917D+01
      4   0.325909D+01 -0.299444D+01 -0.821276D+01 -0.633933D-01  0.224524D+01
      5  -0.104398D+01  0.229221D+01 -0.171027D+00  0.186701D+01 -0.131946D+01
      6  -0.238731D+01  0.190042D+00  0.317172D+01  0.985015D+00 -0.103819D+02
                16            17            18            19            20 
      1  -0.422763D+01 -0.365328D+01  0.267989D+01 -0.213692D+01 -0.598763D+01
      2  -0.119305D+01 -0.416481D+01  0.115655D+02 -0.209194D+01  0.916789D+01
      3   0.542068D+01  0.781809D+01 -0.142454D+02  0.422886D+01 -0.318025D+01
      4  -0.255513D+01 -0.249337D+01 -0.446446D+01  0.715223D+01 -0.163519D+02
      5  -0.157600D+01 -0.231600D+01  0.744448D+01 -0.146128D+01  0.699181D+01
      6  -0.336554D+01  0.560159D+00  0.545702D+01  0.158280D+01  0.142187D+00
                21            22            23            24            25 
      1  -0.139138D+01  0.533069D+01 -0.162128D+01  0.473662D+00 -0.335059D+01
      2  -0.352617D+01 -0.142236D+01 -0.114790D+02 -0.623513D+01  0.943150D+00
      3   0.491755D+01 -0.390833D+01  0.131003D+02  0.576147D+01  0.240744D+01
      4   0.587051D+01 -0.242702D+02  0.204217D+02 -0.242879D+01  0.103318D+02
      5  -0.903366D+01  0.107264D+02 -0.358638D+01  0.703943D+01 -0.209928D+01
      6   0.330361D+01 -0.132913D+01  0.451200D+01 -0.832250D+01  0.912075D+00
                26            27            28            29            30 
      1   0.367379D+01 -0.429278D+01  0.300560D+02  0.367328D+01 -0.489476D+01
      2   0.232779D+01 -0.187114D+01 -0.185323D+02  0.725023D+00  0.761513D+01
      3  -0.600158D+01  0.616392D+01 -0.115237D+02 -0.439830D+01 -0.272038D+01
      4   0.231943D+01  0.268479D+01  0.168123D+02  0.168225D+02 -0.564121D+01
      5   0.175177D+01  0.353989D+01 -0.106767D+02 -0.424764D+01  0.142674D+02
      6   0.381254D+01  0.556696D+01 -0.287050D+01 -0.188337D+01  0.419154D+01
                31            32            33            34            35 
      1  -0.538050D+01  0.733673D+01  0.224753D+01  0.715604D-01 -0.798591D+00
      2   0.712936D+01 -0.127428D+00  0.222090D+00  0.215756D+01  0.844223D+00
      3  -0.174885D+01 -0.720930D+01 -0.246962D+01 -0.222912D+01 -0.456319D-01
      4   0.152649D+02  0.874176D+01 -0.231864D+01 -0.547512D+01 -0.473630D+01
      5  -0.177352D+01 -0.382441D+01  0.171961D+01  0.134785D+02  0.549650D+01
      6  -0.986343D+00 -0.202110D+01  0.752116D+01  0.266352D+01  0.565274D+01
                36            37            38            39            40 
      1   0.777568D+00  0.490520D+02 -0.230226D+01  0.755834D+01 -0.125054D+02
      2  -0.979388D+01 -0.252237D+02  0.123830D+01 -0.407826D+01  0.799682D+01
      3   0.901631D+01 -0.238284D+02  0.106396D+01 -0.348008D+01  0.450859D+01
      4   0.651863D+01  0.232710D+01  0.109362D+02  0.494825D+01  0.644303D+01
      5  -0.141704D+02  0.110370D+02  0.356365D+01  0.491614D+01  0.353821D+01
      6  -0.426734D+01  0.188324D+01  0.682363D+00 -0.996376D+00  0.252252D+01
                41            42            43            44            45 
      1   0.930098D+00  0.283841D+01  0.108609D+02  0.237769D+01 -0.428186D+01
      2   0.392334D+01 -0.910015D+00 -0.747977D+01 -0.670003D+00 -0.113780D+01
      3  -0.485344D+01 -0.192839D+01 -0.338111D+01 -0.170769D+01  0.541966D+01
      4  -0.360495D+01  0.499863D+01  0.662948D+01  0.648369D+01 -0.809708D+01
      5   0.490893D+01 -0.907147D+01  0.160788D+00 -0.763395D+01  0.211390D+02
      6   0.183372D+01  0.114218D+01 -0.210132D+01  0.135756D+01  0.581923D+01
                46            47            48            49            50 
      1   0.631610D+00  0.353597D+01 -0.267341D+01  0.169823D+01 -0.123744D+02
      2  -0.343740D+01 -0.133504D+01  0.282792D+01 -0.139365D+01  0.224777D+02
      3   0.280580D+01 -0.220093D+01 -0.154508D+00 -0.304580D+00 -0.101033D+02
      4   0.133284D+02 -0.311582D+01  0.113519D+01  0.382500D+01 -0.144243D+01
      5  -0.147065D+01 -0.536607D+00  0.585105D+01 -0.356448D+00 -0.166351D+00
      6   0.155452D+01 -0.486353D+00 -0.518583D+01 -0.408570D+01 -0.108270D+02
                51            52            53            54            55 
      1   0.726674D+01 -0.257177D+00  0.908715D+01  0.537335D+01  0.219452D+02
      2  -0.611123D+01  0.209658D+01 -0.814698D+01 -0.904700D+01 -0.744861D+01
      3  -0.115551D+01 -0.183940D+01 -0.940172D+00  0.367365D+01 -0.144966D+02
      4  -0.164553D+01  0.235884D+01  0.133128D+01 -0.184411D+01 -0.242412D+02
      5   0.686666D+00  0.444573D+01  0.493613D+00 -0.983984D+00  0.878715D+01
      6   0.299316D+00 -0.397971D+01 -0.728192D+01 -0.126813D+02 -0.261563D+01
                56            57            58            59            60 
      1  -0.837710D+01  0.281804D+01 -0.911824D+01 -0.904767D+01  0.183310D+01
      2  -0.285687D+01 -0.228877D+01 -0.210537D+01  0.302997D+02 -0.433388D-01
      3   0.112340D+02 -0.529269D+00  0.112236D+02 -0.212520D+02 -0.178976D+01
      4   0.251905D+02 -0.541836D+01  0.300540D+02 -0.439142D+02  0.651081D+01
      5  -0.631831D+01  0.124256D+02 -0.580383D+01  0.859697D+01 -0.127908D+02
      6   0.210412D+01 -0.603851D+01  0.387475D+01 -0.515209D+01  0.135140D+02
                61            62            63            64            65 
      1   0.421312D+01  0.122241D+01 -0.719066D+00  0.668913D+00  0.495769D+00
      2  -0.242453D+01 -0.112342D+01 -0.155542D+01 -0.378246D+01 -0.122377D+01
      3  -0.178859D+01 -0.989872D-01  0.227448D+01  0.311354D+01  0.728003D+00
      4  -0.508388D+01  0.455809D+01 -0.119276D+02  0.131383D+01  0.215831D+01
      5   0.133391D+02 -0.118322D+02  0.924957D+01 -0.248668D+01 -0.157837D+01
      6  -0.610969D+01  0.112294D+02 -0.583172D+01 -0.150468D+01 -0.525441D+00
                66            67            68            69            70 
      1  -0.225281D+00 -0.708653D-01 -0.441904D+01  0.398349D+01  0.132038D+01
      2   0.187014D+01 -0.110415D+01 -0.734690D-01  0.237721D+01  0.207186D+01
      3  -0.164486D+01  0.117501D+01  0.449251D+01 -0.636069D+01 -0.339224D+01
      4  -0.102332D+01  0.376576D+01  0.182517D+01 -0.179223D+01 -0.142633D+01
      5   0.682973D+01 -0.192350D+01 -0.170895D+01  0.250031D+01  0.590868D+01
      6   0.623027D+00 -0.149742D+01 -0.505359D+01  0.882931D+01  0.184963D+01
                71            72            73            74            75 
      1   0.300570D+01 -0.159948D+02  0.844900D+00 -0.559441D+00  0.373709D+01
      2   0.477769D+01 -0.162016D+02 -0.351388D+01  0.106800D+00  0.267499D-01
      3  -0.778339D+01  0.321964D+02  0.266898D+01  0.452640D+00 -0.376384D+01
      4  -0.154690D+01  0.234886D+01 -0.678213D+00  0.451788D+00  0.625876D+00
      5   0.163936D+01 -0.663805D+01  0.573032D+00 -0.461029D+00  0.417358D+01
      6   0.659269D+01 -0.819666D+01 -0.366177D-01 -0.865634D+00 -0.755469D+00
                76            77            78            79            80 
      1  -0.246019D+01 -0.415979D+01  0.196965D+01  0.473061D+01  0.406561D-01
      2   0.129721D+01  0.180690D+01  0.249704D+01 -0.172837D+01  0.186641D+01
      3   0.116298D+01  0.235288D+01 -0.446669D+01 -0.300224D+01 -0.190707D+01
      4  -0.693854D+00 -0.850773D+00  0.234264D+01  0.137752D+01  0.230526D+01
      5  -0.608958D+00  0.188117D+01 -0.326740D+01  0.424036D+01 -0.431985D+00
      6   0.454892D-01 -0.936227D+00  0.372219D+01 -0.203373D+00  0.439642D+01
                81            82            83            84            85 
      1  -0.173575D+02 -0.144254D+01  0.474562D+01  0.304271D+00  0.555584D+01
      2  -0.124407D+02  0.379733D+01 -0.440665D+01  0.516176D-01 -0.427961D+01
      3   0.297982D+02 -0.235479D+01 -0.338973D+00 -0.355889D+00 -0.127624D+01
      4  -0.205941D+01  0.827821D+00  0.373993D+01  0.526462D-02  0.434099D+01
      5   0.141400D+02 -0.424859D+00  0.741283D+00  0.593209D+00  0.899896D+00
      6   0.531073D+01  0.257601D+00 -0.829126D+00 -0.760131D+00 -0.464596D+00
                86            87            88            89            90 
      1  -0.213995D+02 -0.222313D+01 -0.127384D+01  0.516519D+00 -0.455756D+01
      2   0.340836D+02  0.143899D+01  0.103571D+01 -0.150848D+01  0.260317D+01
      3  -0.126841D+02  0.784137D+00  0.238121D+00  0.991961D+00  0.195440D+01
      4   0.137473D+02  0.841017D+00 -0.596785D+00 -0.131610D+01  0.922483D+00
      5   0.289457D+00  0.150091D+01  0.316696D+00  0.158709D+01  0.668895D+00
      6   0.538270D+01  0.565551D+01 -0.826240D+00  0.540388D+01  0.109902D+00
                91            92            93            94            95 
      1  -0.112163D+02  0.402206D+01  0.126980D+01  0.100146D+02 -0.845023D+01
      2   0.921135D+01 -0.147087D+01 -0.290802D+01 -0.595993D+01  0.101367D+02
      3   0.200491D+01 -0.255120D+01  0.163822D+01 -0.405465D+01 -0.168650D+01
      4  -0.130539D+01 -0.185888D+01  0.178407D+01  0.471035D+01  0.107724D+02
      5   0.293451D+01  0.368578D+00 -0.381291D+01 -0.258624D+01 -0.194931D+01
      6   0.197403D+01  0.721887D-01  0.404224D+00 -0.219534D+01 -0.468589D+01
                96            97            98            99           100 
      1   0.545122D+00  0.947298D+00  0.276523D+01 -0.323776D+01  0.112141D+02
      2  -0.365869D+00 -0.894728D+00 -0.228428D+01  0.134749D+01 -0.552387D+00
      3  -0.179252D+00 -0.525701D-01 -0.480944D+00  0.189026D+01 -0.106617D+02
      4  -0.407650D+01  0.193206D+00 -0.148057D+01  0.162868D+01 -0.204351D+02
      5   0.422851D+01  0.104463D+01  0.171348D+01 -0.899324D+00 -0.822436D+00
      6   0.385811D+01  0.544943D-01  0.384579D+01 -0.397568D+01 -0.143413D+01
               101           102           103           104           105 
      1   0.103783D+01  0.268132D+01 -0.136640D+01  0.492232D+00 -0.465839D-01
      2  -0.711142D+01 -0.542470D+00 -0.279591D+01  0.354306D+01 -0.328690D+00
      3   0.607359D+01 -0.213885D+01  0.416231D+01 -0.403529D+01  0.375274D+00
      4   0.134596D+02 -0.185125D+01  0.972333D+01 -0.618303D+01  0.641694D-01
      5   0.580467D+00  0.257017D+01  0.880860D+00 -0.257241D+00 -0.108556D+01
      6  -0.125561D+01 -0.423780D+01 -0.709752D+00  0.443395D+00  0.239012D+01
               106           107           108           109           110 
      1   0.112918D+01 -0.313654D-01  0.449877D-01 -0.996546D+00 -0.246904D+01
      2  -0.305290D+00 -0.956785D+00 -0.244296D+00  0.112304D+01  0.201137D+01
      3  -0.823888D+00  0.988150D+00  0.199308D+00 -0.126499D+00  0.457669D+00
      4  -0.463309D+01  0.113622D+01 -0.146459D+01  0.666019D+00  0.378920D+01
      5   0.241479D+01 -0.989859D+00  0.276123D+00  0.645279D+00  0.182249D+01
      6  -0.814881D+00  0.254458D+01 -0.116344D+01  0.261436D+01  0.358084D+01
               111           112           113           114           115 
      1  -0.225319D+01 -0.158017D+01 -0.129934D+02 -0.841456D+01 -0.207793D+01
      2   0.812601D+00  0.119300D+01  0.149913D+02  0.827629D+01  0.670989D+00
      3   0.144059D+01  0.387174D+00 -0.199785D+01  0.138271D+00  0.140694D+01
      4   0.272932D+01  0.402971D+01 -0.185298D+01 -0.733126D+00  0.301542D+01
      5   0.206740D+01  0.994157D+00 -0.121178D+01 -0.203765D+01  0.242205D+01
      6   0.523023D+01  0.626163D+00  0.158939D+02  0.156062D+02  0.264321D+01
               116           117           118           119           120 
      1  -0.127545D+02 -0.137241D+02  0.140205D+02  0.384759D+01 -0.756641D+01
      2   0.103821D+02  0.668647D+01 -0.732453D+01 -0.161799D+01  0.410534D+01
      3   0.237240D+01  0.703763D+01 -0.669594D+01 -0.222961D+01  0.346107D+01
      4  -0.109670D+01  0.344899D+00  0.630764D+01  0.526687D+01 -0.411734D+01
      5  -0.178694D+01 -0.114965D+01 -0.838269D+01 -0.303239D+01  0.103614D+02
      6   0.191752D+02  0.199611D+02 -0.257028D+01 -0.679153D+00  0.176452D+01
               121           122           123           124           125 
      1   0.594019D+01  0.276481D+01 -0.331790D+01 -0.147231D+02 -0.285922D+01
      2  -0.190285D+01 -0.757091D-01  0.794601D+00  0.902060D+01  0.131760D+01
      3  -0.403734D+01 -0.268910D+01  0.252330D+01  0.570252D+01  0.154163D+01
      4   0.831586D+01  0.647206D+01 -0.695801D+01 -0.877447D+01 -0.839988D+01
      5  -0.543049D+01 -0.584293D+01  0.865512D+01  0.160362D+02  0.796352D+01
      6  -0.273520D+01 -0.283019D+01  0.478962D+01  0.471705D+01  0.377552D+01
               126 
      1   0.832949D+01
      2  -0.767531D+01
      3  -0.654184D+00
      4   0.979054D+01
      5  -0.242596D+02
      6  -0.703754D+01
 Leave Link  716 at Thu Aug 12 22:11:47 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.656368D+02 -0.186029D+01 -0.217848D+01
      2  -0.186029D+01  0.627173D+02 -0.270595D+01
      3  -0.217848D+01 -0.270595D+01  0.514164D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.270521D+01  0.855735D+00 -0.113553D+01
      2  -0.219275D+01 -0.572246D+01 -0.104187D+02
      3   0.670528D+01 -0.227846D+01  0.367751D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.306373D+02 -0.137257D+02 -0.821485D+01
      2   0.194100D+02  0.107808D+02  0.356542D+01
      3   0.112273D+02  0.294495D+01  0.464944D+01
      4  -0.106080D+02  0.736156D+01 -0.153068D+02
      5  -0.397919D+00 -0.162081D+02 -0.170213D+02
      6  -0.699060D+01  0.101857D+02  0.583426D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.134690D+01 -0.123503D+01 -0.891637D+00 -0.359943D+01 -0.199568D+01
      2  -0.123503D+01 -0.267209D+01 -0.578329D+00 -0.199568D+01  0.500096D+01
      3  -0.891637D+00 -0.578329D+00 -0.240807D+01 -0.664888D+00 -0.264303D+00
                 6             7             8             9            10 
      1  -0.664888D+00 -0.316588D+01 -0.496700D+00 -0.183691D+01  0.597465D+00
      2  -0.264303D+00 -0.496700D+00 -0.122287D+01 -0.143990D+01  0.175644D+01
      3  -0.198560D+01 -0.183691D+01 -0.143990D+01  0.569350D+01  0.194352D+01
                11            12            13            14            15 
      1   0.175644D+01  0.194352D+01  0.281414D+01  0.141585D+01  0.422972D+00
      2   0.174837D+01  0.184864D+00  0.141585D+01 -0.262875D+01 -0.637262D+00
      3   0.184864D+00  0.125770D+01  0.422972D+00 -0.637262D+00  0.242900D+01
                16            17            18            19            20 
      1   0.296029D+01 -0.151526D+00  0.172181D+01  0.107614D+01 -0.348344D-01
      2  -0.151526D+00 -0.175845D+00  0.341034D+01 -0.348344D-01 -0.198539D+01
      3   0.172181D+01  0.341034D+01 -0.569119D+01 -0.123879D+01  0.129825D+01
                21            22            23            24            25 
      1  -0.123879D+01  0.234068D+01 -0.304222D+01  0.151384D+01  0.243076D+00
      2   0.129825D+01 -0.304222D+01  0.455757D+01 -0.597239D+00  0.190962D+01
      3   0.105839D+00  0.151384D+01 -0.597239D+00  0.110574D+00 -0.274743D+00
                26            27            28            29            30 
      1   0.190962D+01 -0.274743D+00  0.630316D+01  0.930536D+00 -0.212248D+01
      2  -0.650683D+00 -0.504925D+00  0.930536D+00  0.300441D+01 -0.559719D+00
      3  -0.504925D+00  0.608519D+00 -0.212248D+01 -0.559719D+00  0.141642D+01
                31            32            33            34            35 
      1  -0.147729D+01  0.360056D+01  0.381275D+00 -0.188607D+01 -0.955002D+00
      2   0.360056D+01  0.179258D+00 -0.661691D+00 -0.955002D+00 -0.371895D+00
      3   0.381275D+00 -0.661691D+00  0.191667D+00  0.152769D+01  0.131608D+01
                36            37            38            39            40 
      1   0.152769D+01 -0.724909D+01  0.408876D+00 -0.163414D+01  0.244596D+01
      2   0.131608D+01  0.408876D+00 -0.924193D-01 -0.446625D+00 -0.646058D+00
      3  -0.275117D+01 -0.163414D+01 -0.446625D+00  0.112141D+01 -0.726336D+00
                41            42            43            44            45 
      1  -0.646058D+00 -0.726336D+00 -0.294530D+01 -0.750559D+00  0.586745D+00
      2   0.767916D+00 -0.679960D+00 -0.750559D+00 -0.120197D+01  0.136762D+01
      3  -0.679960D+00  0.193581D+01  0.586745D+00  0.136762D+01 -0.395981D+01
                46            47            48            49            50 
      1   0.414512D+01 -0.663636D+00 -0.131152D-01 -0.402015D+00 -0.381097D+00
      2  -0.663636D+00  0.255677D+00  0.317916D-01 -0.381097D+00  0.322231D+01
      3  -0.131152D-01  0.317916D-01 -0.119123D+01 -0.448794D+00 -0.132801D+01
                51            52            53            54            55 
      1  -0.448794D+00  0.197422D-01 -0.388380D+00 -0.116392D+01  0.493388D+01
      2  -0.132801D+01 -0.388380D+00 -0.309695D+01 -0.212401D+01 -0.388299D+01
      3  -0.189594D+01 -0.116392D+01 -0.212401D+01 -0.210272D+01  0.148635D+01
                56            57            58            59            60 
      1  -0.388299D+01  0.148635D+01 -0.544809D+01  0.376201D+01 -0.783367D+00
      2   0.333555D+01 -0.102334D+01  0.376201D+01 -0.106397D+02  0.158229D+01
      3  -0.102334D+01  0.106457D+01 -0.783367D+00  0.158229D+01 -0.235676D+01
                61            62            63            64            65 
      1   0.123758D+01 -0.763923D+00  0.196028D+01 -0.573053D+00 -0.698683D+00
      2  -0.763923D+00  0.119144D+01 -0.279114D+01 -0.698683D+00 -0.603589D+00
      3   0.196028D+01 -0.279114D+01  0.212105D+01  0.105128D+01  0.863915D-01
                66            67            68            69            70 
      1   0.105128D+01 -0.123330D+01 -0.600205D+00  0.194381D+00  0.124147D+01
      2   0.863915D-01 -0.600205D+00 -0.119989D+01  0.162140D+01  0.200591D+00
      3  -0.112401D+01  0.194381D+00  0.162140D+01 -0.200286D+01 -0.880523D+00
                71            72            73            74            75 
      1   0.200591D+00 -0.880523D+00  0.108620D-01  0.353932D+00 -0.875246D+00
      2   0.236073D+01 -0.205171D+01  0.353932D+00  0.319282D+00  0.112511D+00
      3  -0.205171D+01  0.775840D+01 -0.875246D+00  0.112511D+00  0.103895D+01
                76            77            78            79            80 
      1   0.122395D+01  0.368310D+00  0.969346D-01 -0.145838D+01 -0.106320D+00
      2   0.368310D+00  0.162594D+00 -0.945861D+00 -0.106320D+00 -0.123565D+01
      3   0.969346D-01 -0.945861D+00  0.167415D+01  0.161085D+00  0.167717D+00
                81            82            83            84            85 
      1   0.161085D+00  0.635350D+00 -0.963958D+00  0.119458D+00 -0.147059D+01
      2   0.167717D+00 -0.963958D+00  0.993306D+00  0.229474D+00  0.521854D+00
      3  -0.779526D+01  0.119458D+00  0.229474D+00  0.424916D+00  0.484276D-01
                86            87            88            89            90 
      1   0.521854D+00  0.484276D-01  0.853725D+00  0.996155D-01  0.290244D+00
      2  -0.796839D+01 -0.599882D+00  0.996155D-01  0.564084D+00 -0.840418D+00
      3  -0.599882D+00 -0.967850D+00  0.290244D+00 -0.840418D+00 -0.402565D+00
                91            92            93            94            95 
      1  -0.282037D+01  0.175061D+01  0.100361D+01  0.358415D+01 -0.582565D+00
      2   0.175061D+01 -0.123835D+01 -0.483124D-01 -0.582565D+00  0.411818D+01
      3   0.100361D+01 -0.483124D-01 -0.364043D+00 -0.102205D+01 -0.899663D+00
                96            97            98            99           100 
      1  -0.102205D+01  0.139207D+00 -0.155025D+00  0.207790D+00 -0.624558D+01
      2  -0.899663D+00 -0.155025D+00 -0.925713D+00  0.868749D+00  0.218900D+01
      3   0.145905D+01  0.207790D+00  0.868749D+00 -0.139740D+01 -0.677231D+00
               101           102           103           104           105 
      1   0.218900D+01 -0.677231D+00  0.203377D+01 -0.148296D+01 -0.967074D-01
      2  -0.316432D+01 -0.985457D-01 -0.148296D+01  0.142453D+01  0.319171D-01
      3  -0.985457D-01 -0.108099D+01 -0.967074D-01  0.319171D-01  0.496474D+00
               106           107           108           109           110 
      1  -0.161642D+01  0.238877D+00 -0.294711D+00  0.468632D+00  0.708988D+00
      2   0.238877D+00 -0.544412D+00  0.519555D+00  0.708988D+00  0.890833D+00
      3  -0.294711D+00  0.519555D+00 -0.353847D+00  0.471526D+00  0.403197D+00
               111           112           113           114           115 
      1   0.471526D+00  0.745474D+00  0.171603D+00  0.759008D-01  0.829258D+00
      2   0.403197D+00  0.171603D+00  0.406756D+01  0.233720D+01  0.336154D+00
      3   0.137255D+01  0.759008D-01  0.233720D+01  0.276172D+01  0.635426D+00
               116           117           118           119           120 
      1   0.336154D+00  0.635426D+00 -0.262941D+01 -0.619268D+00  0.137691D+01
      2   0.378288D+01  0.344279D+01 -0.619268D+00 -0.791254D+00  0.408394D+00
      3   0.344279D+01  0.388672D+01  0.137691D+01  0.408394D+00 -0.163400D+01
               121           122           123           124           125 
      1  -0.155743D+01 -0.110940D+01  0.100841D+01  0.354771D+01  0.982578D+00
      2  -0.110940D+01 -0.106415D+01  0.104107D+01  0.982578D+00  0.152685D+01
      3   0.100841D+01  0.104107D+01 -0.184942D+01 -0.264026D+01 -0.134073D+01
               126 
      1  -0.264026D+01
      2  -0.134073D+01
      3   0.438577D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.649150D+00  0.107223D+01 -0.105061D+01 -0.980835D+00 -0.566543D+01
      2   0.108962D+01  0.374640D-01  0.150540D+01  0.121678D+01 -0.784594D+00
      3  -0.269901D+01  0.117831D+01  0.599783D+00  0.451569D+01  0.735127D+01
                 6             7             8             9            10 
      1  -0.376349D+01 -0.913194D+00  0.120996D+01  0.573098D+01  0.654345D+00
      2   0.148846D+01 -0.217754D+01  0.374586D+00 -0.683573D+01  0.667810D+01
      3   0.842952D+00  0.125282D+01 -0.297539D+00 -0.147178D+00 -0.780355D+00
                11            12            13            14            15 
      1   0.308736D+00 -0.256598D+00 -0.260660D+01 -0.134321D+01  0.175495D+01
      2   0.479093D+00  0.313751D+01 -0.167624D+01 -0.313075D+00 -0.546699D+00
      3  -0.616241D+01 -0.146669D+01 -0.339128D+00 -0.223380D+01  0.215804D+01
                16            17            18            19            20 
      1   0.536831D+00  0.360218D+01  0.277965D+00  0.176808D+01  0.154003D+01
      2  -0.521268D+01  0.225169D+00  0.140781D+01 -0.955847D+01 -0.804057D+00
      3  -0.687786D+00 -0.938875D-01 -0.595206D-01  0.653554D+01  0.195143D+01
                21            22            23            24            25 
      1  -0.299464D+01  0.237432D+01  0.630373D+01  0.481543D+01  0.529024D+00
      2  -0.382658D+01 -0.372765D+01 -0.568641D+00  0.377432D+01 -0.139897D+02
      3   0.136806D+00  0.533019D+01 -0.101505D+02 -0.201056D+01  0.284829D+01
                26            27            28            29            30 
      1   0.638389D+01 -0.675295D+01  0.243467D+01 -0.471320D+01 -0.248196D+01
      2   0.135710D+01  0.508723D+01  0.382369D+01 -0.297826D+01  0.618821D+01
      3  -0.198654D+01 -0.104110D+01  0.704509D+01 -0.133383D+02 -0.299949D+00
                31            32            33            34            35 
      1  -0.459701D+01  0.171717D+01 -0.248904D+01 -0.120092D+01  0.288648D+01
      2  -0.115717D+01  0.107902D+01  0.238804D+00  0.295907D+01  0.148380D+01
      3  -0.913067D+01  0.490849D+01  0.286741D+01 -0.167225D+01  0.146356D+01
                36            37            38            39            40 
      1   0.216161D+01 -0.555782D+00  0.972816D-01 -0.209305D+00  0.156807D+01
      2  -0.610658D+01  0.162355D+01  0.215902D+01  0.269398D+01  0.202922D+01
      3  -0.156159D+01  0.692992D+01 -0.762739D+01 -0.196690D+01  0.132179D+01
                41            42            43            44            45 
      1   0.556542D+00 -0.196832D+01 -0.107956D+01  0.171873D+01 -0.221810D+01
      2   0.173675D+01 -0.530159D+01 -0.731787D+01 -0.395238D+01  0.119693D+02
      3   0.454191D+01 -0.225085D+01 -0.185294D+01 -0.354162D+01  0.414956D+01
                46            47            48            49            50 
      1  -0.151775D+01  0.405424D+00  0.209775D+01  0.117390D+01  0.664160D+01
      2  -0.425913D+00 -0.241203D+00  0.324796D+01  0.482982D-01  0.597895D+00
      3   0.115434D+02 -0.690795D+01  0.111562D+01  0.364032D+01  0.891309D+00
                51            52            53            54            55 
      1  -0.179446D+01  0.149421D+01  0.910643D+01  0.562484D+01 -0.756605D+00
      2   0.747640D+00 -0.322405D+01  0.685480D+00  0.103973D+00  0.139469D+01
      3  -0.134514D+01  0.153524D+01 -0.809796D+00 -0.277904D+01 -0.120497D+01
                56            57            58            59            60 
      1   0.104352D+01  0.435217D+01  0.851529D-01 -0.287437D+01 -0.895072D+01
      2  -0.454221D+00  0.616008D+01  0.390417D+01  0.182947D+01 -0.578143D+01
      3  -0.740135D+01  0.121203D+01  0.477140D+01  0.164916D+02 -0.148926D+01
                61            62            63            64            65 
      1  -0.167190D+00  0.201555D+01  0.238294D+01  0.403081D-02 -0.640215D+00
      2   0.210533D+01 -0.419493D+01  0.186373D+01 -0.192938D-01  0.384146D-01
      3  -0.904514D+00 -0.103841D+01  0.442670D+01 -0.632969D+00 -0.477357D+00
                66            67            68            69            70 
      1  -0.206635D+00  0.249203D+00 -0.112214D+01 -0.645249D+00 -0.324677D+00
      2   0.862964D+00  0.813027D+00  0.166134D+00  0.650894D+00 -0.295220D+01
      3   0.357596D+00  0.206277D+01 -0.817744D-01 -0.150131D+00 -0.970420D+00
                71            72            73            74            75 
      1   0.369436D+01  0.114224D+01 -0.137044D+01 -0.637534D+00  0.451493D+00
      2   0.350718D+00 -0.108244D+01  0.170655D+01  0.227914D+00 -0.723296D+00
      3   0.903803D+00  0.197930D-01  0.201129D+00 -0.847334D+00  0.604260D+00
                76            77            78            79            80 
      1  -0.391234D+00 -0.112179D+01  0.107261D+01  0.256541D+00  0.365646D+01
      2   0.102261D+01  0.141191D+01 -0.178573D+01 -0.414340D+01 -0.474692D+00
      3   0.314804D+00 -0.443675D-02 -0.111552D+01  0.664478D+00 -0.974870D+00
                81            82            83            84            85 
      1  -0.623551D+01  0.128611D+01 -0.321243D+00  0.595596D+00 -0.301910D+00
      2   0.849853D+01  0.337185D+00 -0.521538D+00  0.446288D+00 -0.938539D+00
      3   0.188595D-02 -0.305936D+01  0.137601D+01 -0.283957D+00  0.548475D+01
                86            87            88            89            90 
      1   0.430628D+01 -0.331397D+01  0.380505D+00 -0.332483D+00  0.166535D+00
      2   0.138558D+01  0.751842D+00 -0.927169D+00  0.756805D+00  0.552484D+00
      3  -0.844274D+01 -0.659290D+00 -0.110730D+01  0.306556D+00 -0.110417D+01
                91            92            93            94            95 
      1  -0.384869D+01  0.396172D+01  0.353947D+00  0.439346D+01 -0.321920D+01
      2  -0.378570D+01  0.275926D+01 -0.158874D+01  0.191613D+01 -0.324439D+01
      3  -0.905448D+01  0.877912D+01  0.147246D+01  0.107582D+02 -0.113270D+02
                96            97            98            99           100 
      1  -0.215380D+01  0.172353D-01  0.649330D+00  0.122307D+01  0.246789D+01
      2   0.202614D+01 -0.187150D+01  0.185824D+01 -0.192735D+00  0.754233D+00
      3  -0.604606D+00  0.895655D+00  0.554103D-01 -0.901119D+00 -0.137465D+02
               101           102           103           104           105 
      1  -0.967877D+00  0.274332D+01 -0.523510D-01  0.823313D+00 -0.969161D+00
      2  -0.381506D+00  0.218400D+01 -0.185487D-01  0.391928D+00 -0.852971D+00
      3  -0.204439D+00 -0.157815D+01  0.256703D+01 -0.189600D+01 -0.578414D+00
               106           107           108           109           110 
      1   0.423884D+00 -0.310389D+00  0.896278D+00 -0.272235D+00 -0.993833D+00
      2  -0.476422D+00 -0.524762D+00  0.341050D+00 -0.414137D+00 -0.129422D+00
      3  -0.367784D+01  0.694419D-01  0.162644D+00  0.948683D+00  0.729229D+00
               111           112           113           114           115 
      1  -0.290190D+01  0.714604D-01 -0.336147D+01 -0.600483D+01 -0.980484D+00
      2  -0.190014D+00 -0.643067D+00 -0.743546D+00 -0.850633D+00 -0.199973D+01
      3   0.350516D+00  0.277713D+01  0.117511D+01  0.591812D+00  0.212949D+01
               116           117           118           119           120 
      1  -0.428565D+01 -0.760375D+01  0.355538D+00 -0.155040D+00 -0.492632D+00
      2  -0.969493D+00 -0.808642D+00 -0.429279D+01 -0.154384D+01  0.561106D+01
      3   0.145865D+01  0.222560D+01 -0.109510D+01 -0.240876D+01  0.109833D+01
               121           122           123           124           125 
      1   0.103065D+00 -0.288140D+00 -0.129880D+01  0.967666D-01  0.136631D+01
      2  -0.278901D+01 -0.294445D+01  0.544095D+01  0.640690D+01  0.395377D+01
      3  -0.125326D+01 -0.215288D+01  0.265517D+01  0.154707D+01  0.448524D+01
               126 
      1   0.185211D+01
      2  -0.137096D+02
      3  -0.339245D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.218812D+02 -0.216385D+01 -0.212864D+01  0.450695D+01  0.149746D+02
      2   0.103653D+02  0.414381D+01 -0.114153D+01 -0.434793D+00 -0.201480D+02
      3   0.115159D+02 -0.197996D+01  0.327017D+01 -0.407216D+01  0.517334D+01
      4   0.126634D+00 -0.103004D+01  0.124149D+01  0.834076D+01 -0.592898D+01
      5  -0.128662D+01  0.444102D+00 -0.208489D+01  0.161453D+01  0.100382D+01
      6   0.277835D+01  0.233028D+01  0.226692D+01  0.158436D+01 -0.250647D+00
                 6             7             8             9            10 
      1  -0.409000D+00  0.408957D+01 -0.788221D+00  0.126826D+02 -0.324403D+01
      2  -0.241327D+01 -0.251839D+01 -0.857080D+00  0.348688D+01  0.365230D+01
      3   0.282227D+01 -0.157119D+01  0.164530D+01 -0.161695D+02 -0.408275D+00
      4   0.771851D+00  0.463849D+01  0.293586D+01  0.561840D+01 -0.406233D+01
      5   0.324176D+01  0.550451D+01  0.248532D+01 -0.105355D+02  0.856424D+00
      6   0.279302D+01  0.270048D+01  0.165272D+01 -0.177725D+01 -0.161307D+01
                11            12            13            14            15 
      1  -0.197920D+01 -0.140440D+00  0.675499D+00  0.615528D+01 -0.494256D+01
      2   0.386961D+01 -0.137196D+01  0.130184D+01 -0.573557D+01 -0.280661D+01
      3  -0.189041D+01  0.151240D+01 -0.197734D+01 -0.419709D+00  0.774917D+01
      4   0.325909D+01 -0.299444D+01 -0.821276D+01 -0.633933D-01  0.224524D+01
      5  -0.104398D+01  0.229221D+01 -0.171027D+00  0.186701D+01 -0.131946D+01
      6  -0.238731D+01  0.190042D+00  0.317172D+01  0.985015D+00 -0.103819D+02
                16            17            18            19            20 
      1  -0.422763D+01 -0.365328D+01  0.267989D+01 -0.213692D+01 -0.598763D+01
      2  -0.119305D+01 -0.416481D+01  0.115655D+02 -0.209194D+01  0.916789D+01
      3   0.542068D+01  0.781809D+01 -0.142454D+02  0.422886D+01 -0.318025D+01
      4  -0.255513D+01 -0.249337D+01 -0.446446D+01  0.715223D+01 -0.163519D+02
      5  -0.157600D+01 -0.231600D+01  0.744448D+01 -0.146128D+01  0.699181D+01
      6  -0.336554D+01  0.560159D+00  0.545702D+01  0.158280D+01  0.142187D+00
                21            22            23            24            25 
      1  -0.139138D+01  0.533069D+01 -0.162128D+01  0.473662D+00 -0.335059D+01
      2  -0.352617D+01 -0.142236D+01 -0.114790D+02 -0.623513D+01  0.943150D+00
      3   0.491755D+01 -0.390833D+01  0.131003D+02  0.576147D+01  0.240744D+01
      4   0.587051D+01 -0.242702D+02  0.204217D+02 -0.242879D+01  0.103318D+02
      5  -0.903366D+01  0.107264D+02 -0.358638D+01  0.703943D+01 -0.209928D+01
      6   0.330361D+01 -0.132913D+01  0.451200D+01 -0.832250D+01  0.912075D+00
                26            27            28            29            30 
      1   0.367379D+01 -0.429278D+01  0.300560D+02  0.367328D+01 -0.489476D+01
      2   0.232779D+01 -0.187114D+01 -0.185323D+02  0.725023D+00  0.761513D+01
      3  -0.600158D+01  0.616392D+01 -0.115237D+02 -0.439830D+01 -0.272038D+01
      4   0.231943D+01  0.268479D+01  0.168123D+02  0.168225D+02 -0.564121D+01
      5   0.175177D+01  0.353989D+01 -0.106767D+02 -0.424764D+01  0.142674D+02
      6   0.381254D+01  0.556696D+01 -0.287050D+01 -0.188337D+01  0.419154D+01
                31            32            33            34            35 
      1  -0.538050D+01  0.733673D+01  0.224753D+01  0.715604D-01 -0.798591D+00
      2   0.712936D+01 -0.127428D+00  0.222090D+00  0.215756D+01  0.844223D+00
      3  -0.174885D+01 -0.720930D+01 -0.246962D+01 -0.222912D+01 -0.456319D-01
      4   0.152649D+02  0.874176D+01 -0.231864D+01 -0.547512D+01 -0.473630D+01
      5  -0.177352D+01 -0.382441D+01  0.171961D+01  0.134785D+02  0.549650D+01
      6  -0.986343D+00 -0.202110D+01  0.752116D+01  0.266352D+01  0.565274D+01
                36            37            38            39            40 
      1   0.777568D+00  0.490520D+02 -0.230226D+01  0.755834D+01 -0.125054D+02
      2  -0.979388D+01 -0.252237D+02  0.123830D+01 -0.407826D+01  0.799682D+01
      3   0.901631D+01 -0.238284D+02  0.106396D+01 -0.348008D+01  0.450859D+01
      4   0.651863D+01  0.232710D+01  0.109362D+02  0.494825D+01  0.644303D+01
      5  -0.141704D+02  0.110370D+02  0.356365D+01  0.491614D+01  0.353821D+01
      6  -0.426734D+01  0.188324D+01  0.682363D+00 -0.996376D+00  0.252252D+01
                41            42            43            44            45 
      1   0.930098D+00  0.283841D+01  0.108609D+02  0.237769D+01 -0.428186D+01
      2   0.392334D+01 -0.910015D+00 -0.747977D+01 -0.670003D+00 -0.113780D+01
      3  -0.485344D+01 -0.192839D+01 -0.338111D+01 -0.170769D+01  0.541966D+01
      4  -0.360495D+01  0.499863D+01  0.662948D+01  0.648369D+01 -0.809708D+01
      5   0.490893D+01 -0.907147D+01  0.160788D+00 -0.763395D+01  0.211390D+02
      6   0.183372D+01  0.114218D+01 -0.210132D+01  0.135756D+01  0.581923D+01
                46            47            48            49            50 
      1   0.631610D+00  0.353597D+01 -0.267341D+01  0.169823D+01 -0.123744D+02
      2  -0.343740D+01 -0.133504D+01  0.282792D+01 -0.139365D+01  0.224777D+02
      3   0.280580D+01 -0.220093D+01 -0.154508D+00 -0.304580D+00 -0.101033D+02
      4   0.133284D+02 -0.311582D+01  0.113519D+01  0.382500D+01 -0.144243D+01
      5  -0.147065D+01 -0.536607D+00  0.585105D+01 -0.356448D+00 -0.166351D+00
      6   0.155452D+01 -0.486353D+00 -0.518583D+01 -0.408570D+01 -0.108270D+02
                51            52            53            54            55 
      1   0.726674D+01 -0.257177D+00  0.908715D+01  0.537335D+01  0.219452D+02
      2  -0.611123D+01  0.209658D+01 -0.814698D+01 -0.904700D+01 -0.744861D+01
      3  -0.115551D+01 -0.183940D+01 -0.940172D+00  0.367365D+01 -0.144966D+02
      4  -0.164553D+01  0.235884D+01  0.133128D+01 -0.184411D+01 -0.242412D+02
      5   0.686666D+00  0.444573D+01  0.493613D+00 -0.983984D+00  0.878715D+01
      6   0.299316D+00 -0.397971D+01 -0.728192D+01 -0.126813D+02 -0.261563D+01
                56            57            58            59            60 
      1  -0.837710D+01  0.281804D+01 -0.911824D+01 -0.904767D+01  0.183310D+01
      2  -0.285687D+01 -0.228877D+01 -0.210537D+01  0.302997D+02 -0.433388D-01
      3   0.112340D+02 -0.529269D+00  0.112236D+02 -0.212520D+02 -0.178976D+01
      4   0.251905D+02 -0.541836D+01  0.300540D+02 -0.439142D+02  0.651081D+01
      5  -0.631831D+01  0.124256D+02 -0.580383D+01  0.859697D+01 -0.127908D+02
      6   0.210412D+01 -0.603851D+01  0.387475D+01 -0.515209D+01  0.135140D+02
                61            62            63            64            65 
      1   0.421312D+01  0.122241D+01 -0.719066D+00  0.668913D+00  0.495769D+00
      2  -0.242453D+01 -0.112342D+01 -0.155542D+01 -0.378246D+01 -0.122377D+01
      3  -0.178859D+01 -0.989872D-01  0.227448D+01  0.311354D+01  0.728003D+00
      4  -0.508388D+01  0.455809D+01 -0.119276D+02  0.131383D+01  0.215831D+01
      5   0.133391D+02 -0.118322D+02  0.924957D+01 -0.248668D+01 -0.157837D+01
      6  -0.610969D+01  0.112294D+02 -0.583172D+01 -0.150468D+01 -0.525441D+00
                66            67            68            69            70 
      1  -0.225281D+00 -0.708653D-01 -0.441904D+01  0.398349D+01  0.132038D+01
      2   0.187014D+01 -0.110415D+01 -0.734690D-01  0.237721D+01  0.207186D+01
      3  -0.164486D+01  0.117501D+01  0.449251D+01 -0.636069D+01 -0.339224D+01
      4  -0.102332D+01  0.376576D+01  0.182517D+01 -0.179223D+01 -0.142633D+01
      5   0.682973D+01 -0.192350D+01 -0.170895D+01  0.250031D+01  0.590868D+01
      6   0.623027D+00 -0.149742D+01 -0.505359D+01  0.882931D+01  0.184963D+01
                71            72            73            74            75 
      1   0.300570D+01 -0.159948D+02  0.844900D+00 -0.559441D+00  0.373709D+01
      2   0.477769D+01 -0.162016D+02 -0.351388D+01  0.106800D+00  0.267499D-01
      3  -0.778339D+01  0.321964D+02  0.266898D+01  0.452640D+00 -0.376384D+01
      4  -0.154690D+01  0.234886D+01 -0.678213D+00  0.451788D+00  0.625876D+00
      5   0.163936D+01 -0.663805D+01  0.573032D+00 -0.461029D+00  0.417358D+01
      6   0.659269D+01 -0.819666D+01 -0.366177D-01 -0.865634D+00 -0.755469D+00
                76            77            78            79            80 
      1  -0.246019D+01 -0.415979D+01  0.196965D+01  0.473061D+01  0.406561D-01
      2   0.129721D+01  0.180690D+01  0.249704D+01 -0.172837D+01  0.186641D+01
      3   0.116298D+01  0.235288D+01 -0.446669D+01 -0.300224D+01 -0.190707D+01
      4  -0.693854D+00 -0.850773D+00  0.234264D+01  0.137752D+01  0.230526D+01
      5  -0.608958D+00  0.188117D+01 -0.326740D+01  0.424036D+01 -0.431985D+00
      6   0.454892D-01 -0.936227D+00  0.372219D+01 -0.203373D+00  0.439642D+01
                81            82            83            84            85 
      1  -0.173575D+02 -0.144254D+01  0.474562D+01  0.304271D+00  0.555584D+01
      2  -0.124407D+02  0.379733D+01 -0.440665D+01  0.516176D-01 -0.427961D+01
      3   0.297982D+02 -0.235479D+01 -0.338973D+00 -0.355889D+00 -0.127624D+01
      4  -0.205941D+01  0.827821D+00  0.373993D+01  0.526462D-02  0.434099D+01
      5   0.141400D+02 -0.424859D+00  0.741283D+00  0.593209D+00  0.899896D+00
      6   0.531073D+01  0.257601D+00 -0.829126D+00 -0.760131D+00 -0.464596D+00
                86            87            88            89            90 
      1  -0.213995D+02 -0.222313D+01 -0.127384D+01  0.516519D+00 -0.455756D+01
      2   0.340836D+02  0.143899D+01  0.103571D+01 -0.150848D+01  0.260317D+01
      3  -0.126841D+02  0.784137D+00  0.238121D+00  0.991961D+00  0.195440D+01
      4   0.137473D+02  0.841017D+00 -0.596785D+00 -0.131610D+01  0.922483D+00
      5   0.289457D+00  0.150091D+01  0.316696D+00  0.158709D+01  0.668895D+00
      6   0.538270D+01  0.565551D+01 -0.826240D+00  0.540388D+01  0.109902D+00
                91            92            93            94            95 
      1  -0.112163D+02  0.402206D+01  0.126980D+01  0.100146D+02 -0.845023D+01
      2   0.921135D+01 -0.147087D+01 -0.290802D+01 -0.595993D+01  0.101367D+02
      3   0.200491D+01 -0.255120D+01  0.163822D+01 -0.405465D+01 -0.168650D+01
      4  -0.130539D+01 -0.185888D+01  0.178407D+01  0.471035D+01  0.107724D+02
      5   0.293451D+01  0.368578D+00 -0.381291D+01 -0.258624D+01 -0.194931D+01
      6   0.197403D+01  0.721887D-01  0.404224D+00 -0.219534D+01 -0.468589D+01
                96            97            98            99           100 
      1   0.545122D+00  0.947298D+00  0.276523D+01 -0.323776D+01  0.112141D+02
      2  -0.365869D+00 -0.894728D+00 -0.228428D+01  0.134749D+01 -0.552387D+00
      3  -0.179252D+00 -0.525701D-01 -0.480944D+00  0.189026D+01 -0.106617D+02
      4  -0.407650D+01  0.193206D+00 -0.148057D+01  0.162868D+01 -0.204351D+02
      5   0.422851D+01  0.104463D+01  0.171348D+01 -0.899324D+00 -0.822436D+00
      6   0.385811D+01  0.544943D-01  0.384579D+01 -0.397568D+01 -0.143413D+01
               101           102           103           104           105 
      1   0.103783D+01  0.268132D+01 -0.136640D+01  0.492232D+00 -0.465839D-01
      2  -0.711142D+01 -0.542470D+00 -0.279591D+01  0.354306D+01 -0.328690D+00
      3   0.607359D+01 -0.213885D+01  0.416231D+01 -0.403529D+01  0.375274D+00
      4   0.134596D+02 -0.185125D+01  0.972333D+01 -0.618303D+01  0.641694D-01
      5   0.580467D+00  0.257017D+01  0.880860D+00 -0.257241D+00 -0.108556D+01
      6  -0.125561D+01 -0.423780D+01 -0.709752D+00  0.443395D+00  0.239012D+01
               106           107           108           109           110 
      1   0.112918D+01 -0.313654D-01  0.449877D-01 -0.996546D+00 -0.246904D+01
      2  -0.305290D+00 -0.956785D+00 -0.244296D+00  0.112304D+01  0.201137D+01
      3  -0.823888D+00  0.988150D+00  0.199308D+00 -0.126499D+00  0.457669D+00
      4  -0.463309D+01  0.113622D+01 -0.146459D+01  0.666019D+00  0.378920D+01
      5   0.241479D+01 -0.989859D+00  0.276123D+00  0.645279D+00  0.182249D+01
      6  -0.814881D+00  0.254458D+01 -0.116344D+01  0.261436D+01  0.358084D+01
               111           112           113           114           115 
      1  -0.225319D+01 -0.158017D+01 -0.129934D+02 -0.841456D+01 -0.207793D+01
      2   0.812601D+00  0.119300D+01  0.149913D+02  0.827629D+01  0.670989D+00
      3   0.144059D+01  0.387174D+00 -0.199785D+01  0.138271D+00  0.140694D+01
      4   0.272932D+01  0.402971D+01 -0.185298D+01 -0.733126D+00  0.301542D+01
      5   0.206740D+01  0.994157D+00 -0.121178D+01 -0.203765D+01  0.242205D+01
      6   0.523023D+01  0.626163D+00  0.158939D+02  0.156062D+02  0.264321D+01
               116           117           118           119           120 
      1  -0.127545D+02 -0.137241D+02  0.140205D+02  0.384759D+01 -0.756641D+01
      2   0.103821D+02  0.668647D+01 -0.732453D+01 -0.161799D+01  0.410534D+01
      3   0.237240D+01  0.703763D+01 -0.669594D+01 -0.222961D+01  0.346107D+01
      4  -0.109670D+01  0.344899D+00  0.630764D+01  0.526687D+01 -0.411734D+01
      5  -0.178694D+01 -0.114965D+01 -0.838269D+01 -0.303239D+01  0.103614D+02
      6   0.191752D+02  0.199611D+02 -0.257028D+01 -0.679153D+00  0.176452D+01
               121           122           123           124           125 
      1   0.594019D+01  0.276481D+01 -0.331790D+01 -0.147231D+02 -0.285922D+01
      2  -0.190285D+01 -0.757091D-01  0.794601D+00  0.902060D+01  0.131760D+01
      3  -0.403734D+01 -0.268910D+01  0.252330D+01  0.570252D+01  0.154163D+01
      4   0.831586D+01  0.647206D+01 -0.695801D+01 -0.877447D+01 -0.839988D+01
      5  -0.543049D+01 -0.584293D+01  0.865512D+01  0.160362D+02  0.796352D+01
      6  -0.273520D+01 -0.283019D+01  0.478962D+01  0.471705D+01  0.377552D+01
               126 
      1   0.832949D+01
      2  -0.767531D+01
      3  -0.654184D+00
      4   0.979054D+01
      5  -0.242596D+02
      6  -0.703754D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.177208D+01      0.450418D+01      0.150243D+02
   x         -0.140490D+01     -0.357091D+01     -0.119113D+02
   y          0.825060D+00      0.209709D+01      0.699515D+01
   z          0.696985D+00      0.177156D+01      0.590928D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547500D+02      0.811311D+01      0.902705D+01
   aniso      0.138511D+02      0.205252D+01      0.228374D+01
   xx         0.600536D+02      0.889902D+01      0.990150D+01
   yx        -0.174617D+01     -0.258755D+00     -0.287904D+00
   yy         0.574969D+02      0.852016D+01      0.947996D+01
   zx        -0.203351D+01     -0.301335D+00     -0.335280D+00
   zy        -0.255420D+01     -0.378493D+00     -0.421131D+00
   zz         0.466994D+02      0.692014D+01      0.769969D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.599235D+02      0.887975D+01      0.988005D+01
   aniso      0.146906D+02      0.217693D+01      0.242216D+01
   xx         0.656368D+02      0.972638D+01      0.108221D+02
   yx        -0.186029D+01     -0.275667D+00     -0.306721D+00
   yy         0.627173D+02      0.929375D+01      0.103407D+02
   zx        -0.217848D+01     -0.322818D+00     -0.359183D+00
   zy        -0.270595D+01     -0.400980D+00     -0.446150D+00
   zz         0.514164D+02      0.761912D+01      0.847741D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.17951951         -1.26322649          0.79520561
     6          0.56296708         -0.32736233          0.73998527
     6          1.28956525          0.12530081         -2.03032785
     8          1.33973685          2.56629304         -2.68368791
     8         -3.05042541         -1.65104598          3.30547719
     7          0.76869236          2.01188673          2.19635093
     8          1.69407911         -1.56755846         -3.48584197
     1          1.78912746         -1.84155660          1.43804261
     1         -3.41206425          0.18252343         -0.00730789
     1         -2.33494878         -2.96740208         -0.35597159
     1          0.97142327          3.50125853         -1.11767282
     1         -0.50562739          2.00724919          3.62736022
     1          2.50918904          2.22141094          2.96242428
     1         -2.30315643         -3.17648985          3.96191848

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.177208D+01      0.450418D+01      0.150243D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.177208D+01      0.450418D+01      0.150243D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547500D+02      0.811311D+01      0.902705D+01
   aniso      0.138511D+02      0.205252D+01      0.228374D+01
   xx         0.481301D+02      0.713214D+01      0.793558D+01
   yx         0.212314D+01      0.314616D+00      0.350058D+00
   yy         0.570645D+02      0.845609D+01      0.940867D+01
   zx        -0.492878D+01     -0.730370D+00     -0.812646D+00
   zy         0.113677D+01      0.168451D+00      0.187427D+00
   zz         0.590553D+02      0.875110D+01      0.973691D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.599235D+02      0.887975D+01      0.988005D+01
   aniso      0.146906D+02      0.217693D+01      0.242216D+01
   xx         0.529203D+02      0.784197D+01      0.872537D+01
   yx         0.222456D+01      0.329646D+00      0.366781D+00
   yy         0.623053D+02      0.923269D+01      0.102728D+02
   zx        -0.526087D+01     -0.779580D+00     -0.867400D+00
   zy         0.112896D+01      0.167295D+00      0.186141D+00
   zz         0.645450D+02      0.956458D+01      0.106420D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-34\Freq\RwB97XD\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-1.143775,-
 0.674095,-0.437636\C,-0.192819,0.114958,0.470853\C,1.243923,-0.263455,
 0.087563\O,1.874804,0.673356,-0.628783\O,-2.504247,-0.351006,-0.184987
 \N,-0.416115,1.547904,0.283938\O,1.734731,-1.321804,0.371413\H,-0.3417
 97,-0.217774,1.50362\H,-0.962424,-0.398578,-1.477959\H,-0.944875,-1.74
 1017,-0.322569\H,1.241903,1.425342,-0.687718\H,-1.387261,1.719755,0.04
 8304\H,-0.202584,2.074274,1.121954\H,-2.776443,-0.766154,0.64098\\Vers
 ion=ES64L-G16RevA.03\State=1-A\HF=-399.1538779\RMSD=4.086e-09\RMSF=1.0
 28e-05\ZeroPoint=0.1136844\Thermal=0.1211532\Dipole=-1.4049035,0.82505
 96,0.696985\DipoleDeriv=0.9289545,0.0133719,-0.0372189,0.1029724,0.260
 667,0.0313829,0.0150374,0.0389665,0.2828553,-0.2355468,-0.1204657,0.03
 00617,-0.1350973,0.4628056,-0.0698382,-0.0943983,-0.0205859,0.1786425,
 1.1705107,-0.0337252,-0.2211356,-0.2790103,1.4675541,-0.5336504,-0.281
 3519,-0.5952522,0.5477189,-0.7200978,-0.2875044,0.2633508,-0.0177053,-
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 TO BEHOLD HARMS OF OUR OWN HANDS DOING,
 WHERE NONE BESIDE US WROUGHT,
 CAUSES SHARP RUING...

                                         SOPHOCLES
 Job cpu time:       0 days  1 hours  5 minutes 11.6 seconds.
 Elapsed time:       0 days  0 hours  8 minutes 10.9 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:11:48 2021.
